SCHEMBL2925075

SCHEMBL2925075

CCC(=O)N(c1ccccc1)c1n[nH]c2c1CN(S(=O)(=O)Cc1ccccc1)C2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
HSD17B10 Q99714 2/20 0.37
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
RORC P51449 1/20 0.36
RAB9A P51151 1/20 0.35
OPRM1 P35372 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL2919774 0.88 BRD4 (0.36) GAAKMT2AALDH1A1OPRM1SIGMAR1
SCHEMBL2920999 0.88 BRD4 (0.36) TSHRGAAKMT2AALDH1A1KDM4E
SCHEMBL2922865 0.81 OPRM1 (0.47) OPRM1SIGMAR1
SCHEMBL2924963 0.80 OPRM1 (0.47) OPRM1SIGMAR1
SCHEMBL2915619 0.79 CCNA2 (0.50) MAPTLMNA
SCHEMBL2924986 0.78 CCNA2 (0.49) ALDH1A1OPRM1SIGMAR1
SCHEMBL2924758 0.77 KDM4E (0.45) CYP2C19KMT2AALDH1A1NPSR1KDM4E
SCHEMBL2923596 0.76 CCNA2 (0.42) KMT2A
SCHEMBL2923956 0.75 CCNA2 (0.54) MAPT
SCHEMBL2920857 0.74 CCNA2 (0.54) TSHRGAACYP2C19KMT2AALDH1A1

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-1320531-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2010-09-08 EP claimed