SCHEMBL7895013

SCHEMBL7895013

O=C(I)Nc1ccn(Cc2ccccc2O)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 7/20 0.49
CACNA1I Q9P0X4 7/20 0.49
CACNA1H O95180 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.46
LMNA P02545 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
PKM P14618 2/20 0.46
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CACNA1C Q13936 1/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
STIM1 Q13586 1/20 0.42
ORAI1 Q96D31 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
SCHEMBL10241140 0.86 CACNA1I (0.51) CACNA1GCACNA1ICACNA1HSMN1; SMN2LMNA
SCHEMBL759248 0.80 STIM1 (0.66) CACNA1GCACNA1ISMN1; SMN2LMNANPC1
SCHEMBL10280779 0.79 TSHR (0.42) CACNA1GCACNA1ICACNA1HSMN1; SMN2LMNA
SCHEMBL3439966 0.71 CACNA1G (0.50) CACNA1GCACNA1ICACNA1HSMN1; SMN2LMNA
SCHEMBL2113322 0.71 MAPT (0.58) CACNA1GCACNA1ICACNA1HSMN1; SMN2LMNA
SCHEMBL561363 0.69 NPC1 (0.46) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL16118387 0.69 KMT2A (0.67) CACNA1GCACNA1ICACNA1HSMN1; SMN2LMNA
SCHEMBL3439967 0.69 STIM1 (0.53) CACNA1GCACNA1ICACNA1HSMN1; SMN2LMNA
SCHEMBL24335590 0.68 SMN1; SMN2 (0.59) CACNA1GCACNA1ICACNA1HSMN1; SMN2LMNA
SCHEMBL18593147 0.67 CACNA1I (0.72) CACNA1GCACNA1ICACNA1HSMN1; SMN2LMNA

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
WO-2010122089-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed