SCHEMBL8445837

SCHEMBL8445837

CCn1nc(-c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
POLB P06746 2/20 0.47
MAPT P10636 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 2/20 0.46
STAT3 P40763 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
S1PR1 P21453 1/20 0.46
HTR2C P28335 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.44
PRCP P42785 1/20 0.42
HTT P42858 1/20 0.42
GALR3 O60755 1/20 0.42
GAA P10253 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL17279999 0.98 SMN1; SMN2 (0.50) SMN1; SMN2POLBMAPTALDH1A1MEN1
SCHEMBL17279860 0.93 SMN1; SMN2 (0.49) SMN1; SMN2POLBMAPTALDH1A1MEN1
SCHEMBL11541209 0.86 ALDH1A1 (0.55) SMN1; SMN2POLBMAPTALDH1A1MEN1
SCHEMBL11540187 0.83 SMPD1 (0.53) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL5324718 0.81 NPC1 (0.56) MAPTALDH1A1S1PR1KDM4EHPGD
SCHEMBL5292301 0.81 AURKA (0.48) SMN1; SMN2POLBMAPTALDH1A1MEN1
SCHEMBL11539783 0.81 NR1H2 (0.48) SMN1; SMN2POLBMAPTALDH1A1MEN1
SCHEMBL23403521 0.80 SMPD1 (0.41) SMN1; SMN2POLBMAPTALDH1A1MEN1
SCHEMBL1458784 0.80 SMN1; SMN2 (0.50) SMN1; SMN2POLBMAPTALDH1A1MEN1
SCHEMBL5292296 0.80 SMN1; SMN2 (0.46) SMN1; SMN2POLBMAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106164060-A Oxirane compound and method for producing nitrogen-containing heterocyclic compound using same 日本电石工业株式会社 2016-11-23 CN claimed
CN-106164060-A Oxirane compound and method for producing nitrogen-containing heterocyclic compound using same 日本电石工业株式会社 2016-11-23 CN disclosed
US-20160178816-A1 NEAR-INFRARED-ABSORBING COMPOSITION, NEAR-INFRARED CUT FILTER OBTAINED USING SAME, PROCESS FOR PRODUCING SAID CUT FILTER, CAMERA MODULE AND PROCESS FOR PRODUCING SAME, AND SOLID PHOTOGRAPHING ELEMENT FUJIFILM CORPORATION (JP) 2016-06-23 US disclosed
EP-0628563-B1 Process for the preparation of N-substituted pyrazoles BASF AG (DE) 1999-03-03 EP disclosed
US-5468871-A Catalytic N-alkylation BASF AKTIENGESELLSCHAFT (DE) 1995-11-21 US disclosed
EP-0628563-A1 Process for the preparation of N-substituted pyrazoles BASF Aktiengesellschaft (DE) 1994-12-14 EP disclosed
US-4170464-A SYNERGISTIC 1,2-DIALKYL-3,5-DIPHENYL PYRAZOLIUM SALT AND A PHENOXYACETIC ACID AMERICAN CYANAMID COMPANY (US) 1979-10-09 US disclosed
US-4162913-A HERBICIDE, CONTROLLING WILD OATS AMERICAN CYANAMID CO. (US) 1979-07-31 US disclosed