SCHEMBL6561856

SCHEMBL6561856

N#Cc1ccc(NCC#Cc2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
IL18 Q14116 1/20 0.47
CACNA1B Q00975 4/20 0.46
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43
CYP19A1 P11511 1/20 0.43
PGR P06401 2/20 0.43
MAOB P27338 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL28944597 0.86 GRM5 (0.47) KDM4EMAOB
SCHEMBL6565837 0.84 CYP1A1 (0.44) CSNK1A1CSNK1D
SCHEMBL6563265 0.79 ALDH1A1 (0.55) LMNAMEN1POLBMAPTKMT2A
SCHEMBL5250150 0.78 LMNA (0.50) LMNAMEN1MAPTRAB9AKMT2A
SCHEMBL6563532 0.78 ALDH1A1 (0.44) LMNAMEN1POLBMAPTRAB9A
SCHEMBL6565487 0.78 MAPT (0.44) LMNAKDM4EMAPTPKMMAPK1
SCHEMBL378478 0.78 CYP19A1 (0.63) LMNAKDM4EMEN1POLBMAPT
SCHEMBL29712657 0.77 ALDH1A1 (0.48) LMNAMEN1POLBMAPTRAB9A
SCHEMBL29712684 0.77 ALDH1A1 (0.54) KDM4EMEN1POLBMAPTMAPK1
SCHEMBL6565878 0.76 ABCG2 (0.42) MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed
EP-1140802-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM KG (DE) 2001-10-10 EP disclosed
WO-2000035859-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-06-22 WO disclosed