SCHEMBL2850809

SCHEMBL2850809

Cc1ccc(Cl)cc1NC(=O)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK14 Q16539 1/20 0.40
TRPC1 P48995 1/20 0.39
TRPC3 Q13507 1/20 0.39
STIM1 Q13586 1/20 0.39
ORAI1 Q96D31 1/20 0.39
STIM2 Q9P246 1/20 0.39
KMT2A Q03164 1/20 0.39
CCR1 P32246 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL2852353 0.95 RAB9A (0.44) MAPTSMN1; SMN2LMNAHTTRXFP1
SCHEMBL2852121 0.93 P2RX7 (0.43) MAPTSMN1; SMN2TP53MAPK14TRPC1
SCHEMBL2850337 0.91 MAPT (0.40) MAPTSMN1; SMN2LMNAHTTTSHR
SCHEMBL2859508 0.90 CYP1A2 (0.46) MAPTSMN1; SMN2HTTALDH1A1TRPC1
SCHEMBL2853465 0.89 RAB9A (0.44) MAPTSMN1; SMN2LMNAHTTTP53
SCHEMBL2854533 0.88 MEN1 (0.46) MAPTSMN1; SMN2LMNATRPC1TRPC3
SCHEMBL2857582 0.87 MAPT (0.42) MAPTSMN1; SMN2TP53ALDH1A1TRPC1
SCHEMBL2858283 0.86 MAPT (0.43) MAPTSMN1; SMN2ALDH1A1TRPC1TRPC3
SCHEMBL2858515 0.84 MAPT (0.44) MAPTSMN1; SMN2ALDH1A1TRPC1TRPC3
SCHEMBL2861938 0.84 MAPK1 (0.38) MAPTSMN1; SMN2LMNATP53RXFP1

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