SCHEMBL3947270

SCHEMBL3947270

CNc1cccc(-c2cs[c]n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.40
▸ NTRK1 P04629 1/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ HTT P42858 3/20 0.37
▸ MAPT P10636 5/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ TP53 P04637 4/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33
▸ TSHR P16473 1/20 0.32

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
SCHEMBL3943459 0.81 BRAF (0.33) HTTMAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL17626272 0.81 HTT (0.60) HTTSMN1; SMN2ALDH1A1MAPK1BRD4
SCHEMBL17626118 0.81 MAPT (0.35) HTTMAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL17626108 0.80 KIF11 (0.40) MAPTKMT2ASMN1; SMN2MEN1TSHR
SCHEMBL1915009 0.78 IDO1 (0.45) MAPTKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL3949513 0.76 ADRA2A (0.43) MAPTSMN1; SMN2ALDH1A1
SCHEMBL468087 0.75 CYP19A1 (0.45) MAPTSMN1; SMN2MAPK1
SCHEMBL6050957 0.75 KDM4E (0.51) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL7228532 0.75 RAB9A (0.51) MAPTKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL4711911 0.75 RECQL (0.50) MAPTKMT2ASMN1; SMN2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010508-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES AstraZeneca AB (SE) 2009-01-07 — — EP claimed
WO-2007120096-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-10-25 — — WO claimed
Send feedback