SCHEMBL2854518

SCHEMBL2854518

Cc1cc(NC(=O)Oc2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)no1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 3/20 0.46
TP53 P04637 2/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 2/20 0.43
CNR2 P34972 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 3/20 0.42
HSD17B10 Q99714 2/20 0.41
KLK7 P49862 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL2852526 0.85 ATF1 (0.42) SMN1; SMN2CNR2ALDH1A1MAPT
SCHEMBL2860252 0.84 MAPT (0.39) SMN1; SMN2TSHRKMT2AMAPTLMNA
SCHEMBL2850712 0.83 MAPT (0.41) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL2854992 0.83 L3MBTL1 (0.43) RAB9ASMN1; SMN2NPC1TP53TSHR
SCHEMBL2852244 0.82 MAPT (0.48) SMN1; SMN2KMT2AALDH1A1MAPTKDM4E
SCHEMBL2850809 0.82 MAPT (0.43) RAB9ASMN1; SMN2TP53TSHRKMT2A
SCHEMBL2858283 0.82 MAPT (0.43) RAB9ASMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL2859478 0.82 ALDH1A1 (0.43) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL2857582 0.81 MAPT (0.42) RAB9ASMN1; SMN2NPC1TP53KMT2A
SCHEMBL2853465 0.81 RAB9A (0.44) RAB9ASMN1; SMN2NPC1TP53ALDH1A1

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed