SCHEMBL14609606

SCHEMBL14609606

B=C(Nc1ccc(OC)cc1C)c1ccc(C(=O)Nc2ccc(N(C)C)cc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.47
▸ NPC1 O15118 5/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ TP53 P04637 3/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ NOX1 Q9Y5S8 1/20 0.47
▸ LMNA P02545 5/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ CISD2 Q8N5K1 1/20 0.45
▸ F10 P00742 1/20 0.44
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ MAPK1 P28482 4/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ MCL1 Q07820 2/20 0.42
▸ GFER P55789 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
SCHEMBL14009231 0.93 MAPT (0.52) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL14609607 0.82 NPC1 (0.49) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL14609403 0.81 NPC1 (0.67) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL14609402 0.80 CYP11B1 (0.43) MAPTSMN1; SMN2LMNAKDM4EF10
SCHEMBL14609438 0.80 LMNA (0.44) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL14009158 0.78 NPC1 (0.54) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL14609436 0.78 CA1 (0.38) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL14009166 0.78 HRH3 (0.49) MAPTNPC1SMN1; SMN2LMNAKDM4E
SCHEMBL14009284 0.78 CA1 (0.50) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL14009173 0.77 KLKB1 (0.57) MAPTNPC1SMN1; SMN2LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007022258-A1 NOVEL HIGH AFFINITY THIOPHENE-BASED AND FURAN-BASED KINASE LIGANDS SCHERING CORPORATION (US) 2007-02-22 — — WO disclosed
Send feedback