SCHEMBL2431069

SCHEMBL2431069

N=C(N)N(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.55
CYP1A2 P05177 2/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP2A6 P11509 2/20 0.41
CYP3A4 P08684 1/20 0.41
KEAP1 Q14145 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
PTPN1 P18031 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9626664 0.85 SIGMAR1 (0.54) SIGMAR1CYP1A2ALDH1A1
SCHEMBL8401571 0.85 SIGMAR1 (0.48) SIGMAR1ALDH1A1HSD17B10KDM4EGAA
SCHEMBL8401621 0.83 SIGMAR1 (0.41) SIGMAR1HPGDALDH1A1CYP2A6PTPN1
SCHEMBL9292503 0.83 SIGMAR1 (0.41) SIGMAR1ALDH1A1KDM4EHTTPTPN1
SCHEMBL17710565 0.83 SIGMAR1 (0.64) SIGMAR1CYP1A2HPGDALDH1A1TSHR
SCHEMBL6743206 0.82 SIGMAR1 (0.51) SIGMAR1CYP1A2HPGDALDH1A1TSHR
SCHEMBL9547530 0.82 SIGMAR1 (0.51) SIGMAR1CYP1A2HPGDALDH1A1TSHR
SCHEMBL8741205 0.81 SIGMAR1 (0.42) SIGMAR1ALDH1A1CYP2A6
SCHEMBL7753428 0.80 SIGMAR1 (0.52) SIGMAR1CYP1A2HPGDALDH1A1TSHR
SCHEMBL3077485 0.80 SIGMAR1 (0.47) SIGMAR1CYP1A2HPGDALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3298875-B2 2002-07-08 JP claimed
EP-0517852-A4 1994-03-02 EP claimed
EP-0517852-A1 TRI- AND TETRA-SUBSTITUTED GUANIDINES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS STATE OF OREGON, acting through OREGON STATE BOARD OF HIGHER EDUCATION, acting for OREGON HEALTH SC. UNIV. AND UNIV. OF OREGON (US) 1992-12-16 EP claimed
WO-1991012797-A1 TRI- AND TETRA-SUBSTITUTED GUANIDINES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS STATE OF OREGON, acting by and through THE OREGON STATE BOARD OF HIGHER EDUCATION, acting for and on behalf of THE OREGON HEALF SCIENCES UNIVERSITY (US) 1991-09-05 WO claimed
CN-102791798-B Heat-resistant aging polymeric amide BASF SE (DE) 2015-09-09 CN disclosed
CN-102666667-B Functionalized highly branched melamine-polyamine polymers BASF SE 2015-03-04 CN disclosed
EP-2545123-A1 POLYAMIDES RESISTANT TO HOT AGEING BASF SE (DE) 2013-01-16 EP disclosed
CN-102791798-A Polyamides resistant to hot ageing BASF SE 2012-11-21 CN disclosed
CN-102666667-A Functionalized highly branched melamine-polyamine polymers BASF SE 2012-09-12 CN disclosed
WO-2011110508-A1 POLYAMIDES RESISTANT TO HOT AGEING BASF SE (DE) 2011-09-15 WO disclosed
CN-101263256-B Amphoteric stilbene composition HEWLETT PACKARD DEVELOPMENT CO 2011-07-06 CN disclosed
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-20040016363-A1 CORROSION-INHIBITING COATING VENTURE LENDING & LEASING, IV, INC. 2004-01-29 US disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed
CN-1441637-A Compositions for repelling crawling insects BAYER AG (DE) 2003-09-10 CN disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed