SCHEMBL7476673

SCHEMBL7476673

CC(C)(C)[CH]CCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 5/20 0.55
TRPC3 Q13507 3/20 0.53
TP53 P04637 2/20 0.53
TRPC5 Q9UL62 1/20 0.53
TRPC1 P48995 1/20 0.52
STIM1 Q13586 1/20 0.52
MAPT P10636 2/20 0.51
THRB P10828 1/20 0.50
KDM4E B2RXH2 2/20 0.46
PTGS2 P35354 1/20 0.44
POLB P06746 1/20 0.43
CRACR2A Q9BSW2 4/20 0.43
PDPK1 O15530 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
SCHEMBL7323920 0.85 ORAI1 (0.60) ORAI1TRPC3TP53TRPC5TRPC1
SCHEMBL7320587 0.83 ORAI1 (0.64) ORAI1TRPC3TP53TRPC5TRPC1
SCHEMBL7327028 0.83 ORAI1 (0.57) ORAI1TRPC3TP53TRPC5TRPC1
SCHEMBL7316026 0.82 ORAI1 (0.56) ORAI1TRPC3TP53TRPC5TRPC1
SCHEMBL7325234 0.79 ORAI1 (0.67) ORAI1TRPC3TP53TRPC5TRPC1
SCHEMBL7322281 0.79 ORAI1 (0.51) ORAI1TRPC3TP53TRPC5TRPC1
SCHEMBL7326587 0.79 ORAI1 (0.55) ORAI1TRPC3TP53TRPC5TRPC1
SCHEMBL7319204 0.78 ORAI1 (0.60) ORAI1TRPC3TP53TRPC5TRPC1
SCHEMBL7323936 0.78 ORAI1 (0.59) ORAI1TRPC3TP53TRPC5TRPC1
SCHEMBL7318836 0.77 ORAI1 (0.49) ORAI1TRPC3TP53TRPC5TRPC1

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
EP-1068187-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 2001-01-17 EP disclosed
WO-1999051580-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 1999-10-14 WO disclosed