SCHEMBL8715745

SCHEMBL8715745

C=CCc1ccc(-c2ccc(B(O)O)cn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.38
RAB9A P51151 8/20 0.38
NPC1 O15118 7/20 0.38
MAPT P10636 4/20 0.38
TP53 P04637 2/20 0.38
STAT3 P40763 1/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 4/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 2/20 0.37
GABRA1 P14867 2/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
GABRB2 P47870 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH2 P05091 1/20 0.37
AKR1B1 P15121 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL9278177 0.80 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL27905589 0.80 F11 (0.56) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL2423008 0.78 LPL (0.52) SMN1; SMN2MAPTTP53ALDH1A1KDM4E
SCHEMBL9580386 0.77 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL8649755 0.76 RAB9A (0.57) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL10615812 0.75 RAB9A (0.56) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL8718765 0.74 ALDH1A1 (0.35) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL2560337 0.74 NPC1 (0.53) RAB9ANPC1ATMMEN1KMT2A
SCHEMBL14668828 0.74 CA2 (0.54) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL30518373 0.74 NPC1 (0.53) RAB9ANPC1ATMMEN1KMT2A

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
US-5847149-A Thiadiazole derivatives, process for their preparation, and their use as precursors for the production of liquid crystals HOECHST AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed