SCHEMBL9964636

SCHEMBL9964636

Cc1cc(-c2ccc(C)c(-c3ccc(NC(=O)c4ccncc4F)cc3)c2)on1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.53
ORAI1 Q96D31 2/20 0.53
KMT2A Q03164 1/20 0.47
IL2 P60568 7/20 0.47
MAPT P10636 2/20 0.46
TRPC1 P48995 1/20 0.42
TRPC3 Q13507 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CRACR2A Q9BSW2 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
TP53 P04637 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
SCHEMBL4761833 0.91 KMT2A (0.50) STIM1ORAI1KMT2AIL2MAPT
SCHEMBL12093655 0.83 STIM1 (0.61) STIM1ORAI1KMT2AIL2TRPC1
SCHEMBL4769856 0.82 IL2 (0.62) STIM1ORAI1KMT2AIL2MAPT
SCHEMBL3809188 0.81 STIM1 (0.62) STIM1ORAI1KMT2AIL2MAPT
SCHEMBL4762627 0.80 STIM1 (0.53) STIM1ORAI1IL2MAPTTRPC1
SCHEMBL4762957 0.80 STIM1 (0.53) STIM1ORAI1IL2TRPC1TRPC3
SCHEMBL4762642 0.80 STIM1 (0.45) STIM1ORAI1IL2NPC1RAB9A
SCHEMBL4764885 0.80 STIM1 (0.52) STIM1ORAI1IL2MAPTTRPC1
SCHEMBL4762889 0.80 STIM1 (0.52) STIM1ORAI1IL2TRPC1TRPC3
SCHEMBL4769520 0.80 STIM1 (0.52) STIM1ORAI1IL2MAPTTRPC1

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
US-8202999-B2 biphenyl and pyridylphenyl derivatives such as 2,6-Difluoro-N-[2'-methyl-5'-(pyridine-3-yl)-biphenyl-4-yl]-benzamide, used as immunosuppressants for the treatmet or prevent allergies, inflammatory and immune disorders SYNTA PHARMACEUTICALS CORP. (US) 2012-06-19 US disclosed
US-8202999-B2 biphenyl and pyridylphenyl derivatives such as 2,6-Difluoro-N-[2'-methyl-5'-(pyridine-3-yl)-biphenyl-4-yl]-benzamide, used as immunosuppressants for the treatmet or prevent allergies, inflammatory and immune disorders SYNTA PHARMACEUTICALS CORP. (US) 2012-06-19 US disclosed