SCHEMBL15751007

SCHEMBL15751007

Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cnc2[nH]c(-c3c(F)cccc3Cl)cc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.47
POLB P06746 2/20 0.44
ALOX5AP P20292 6/20 0.40
FEN1 P39748 6/20 0.40
PTGES O14684 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR3 P22607 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
CDK2 P24941 1/20 0.33
EED O75530 1/20 0.33
RBBP4 Q09028 1/20 0.33
SUZ12 Q15022 1/20 0.33
EZH2 Q15910 1/20 0.33
AEBP2 Q6ZN18 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
SCHEMBL15750970 0.89 ORAI1 (0.48) ORAI1ALOX5APFEN1PTGESFGFR2
SCHEMBL15750945 0.89 ORAI1 (0.47) ORAI1ALOX5APFEN1PTGESFGFR2
SCHEMBL15021893 0.86 ALOX5AP (0.41) POLBALOX5APFEN1FGFR2FGFR3
SCHEMBL30096546 0.86 ALOX5AP (0.41) POLBALOX5APFEN1FGFR2FGFR3
SCHEMBL15021862 0.86 POLB (0.43) ORAI1POLBPTGESCYP3A4CYP2C9
SCHEMBL15020466 0.85 ORAI1 (0.63) ORAI1POLBPTGESCYP3A4CYP2C9
SCHEMBL15751083 0.83 ALOX5AP (0.46) ORAI1POLBALOX5APFEN1KMT2A
SCHEMBL15021955 0.82 POLB (0.42) ORAI1POLBPTGESCYP3A4CYP2C9
SCHEMBL30096559 0.82 POLB (0.42) ORAI1POLBPTGESCYP3A4CYP2C9
SCHEMBL15021880 0.81 ALOX5AP (0.43) ALOX5APFEN1KMT2A

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-2738172-A1 New bicyclic compounds as crac channel modulators Almirall, S.A. (ES) 2014-06-04 EP disclosed