SCHEMBL28073663

SCHEMBL28073663

CC1=C(C(N)=O)SCN1c1ccc(-n2nc(C3CC3)cc2C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 10/20 0.38
TRPC3 Q13507 1/20 0.36
ORAI1 Q96D31 1/20 0.36
TRPC5 Q9UL62 1/20 0.36
KCNJ6 P48051 2/20 0.34
KCNJ3 P48549 2/20 0.34
NPY5R Q15761 1/20 0.34
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
APP P05067 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL28073675 0.85 CRACR2A (0.51) CRACR2AORAI1KCNJ6KCNJ3
SCHEMBL27887592 0.82 CRACR2A (0.54) CRACR2AORAI1
SCHEMBL27887546 0.79 CRACR2A (0.54) CRACR2APTGS1PTGS2MAPT
SCHEMBL28073678 0.78 CRACR2A (0.51) CRACR2AORAI1
SCHEMBL28073661 0.77 CRACR2A (0.44) CRACR2AORAI1
SCHEMBL1668268 0.75 CRACR2A (0.38) CRACR2ATRPC3ORAI1TRPC5KCNJ6
SCHEMBL27887542 0.75 CRACR2A (0.49) CRACR2ATRPC3ORAI1TRPC5PTGS1
SCHEMBL27904320 0.75 CRACR2A (0.49) CRACR2ATRPC3ORAI1TRPC5PTGS1
SCHEMBL27887548 0.74 CRACR2A (0.53) CRACR2AORAI1
SCHEMBL1668271 0.73 CRACR2A (0.35) CRACR2ATRPC3ORAI1TRPC5KCNJ6

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
CN-102834382-B The pyrazole derivatives of calcium channel modulators is activated as calcium release 理森制药股份公司 2016-08-03 CN disclosed
CN-102834382-A Pyrazole derivatives as modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS S A 2012-12-19 CN disclosed