SCHEMBL8914458

SCHEMBL8914458

O=C(NN1CCNCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2cnccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.50
PRKD3 O94806 2/20 0.49
PRKCG P05129 2/20 0.49
PRKCB P05771 2/20 0.49
CYP3A4 P08684 2/20 0.49
ADORA3 P0DMS8 2/20 0.49
PRKCA P17252 2/20 0.49
PRKACA P17612 2/20 0.49
PRKACG P22612 2/20 0.49
PRKACB P22694 2/20 0.49
PRKCH P24723 2/20 0.49
PRKCI P41743 2/20 0.49
PRKCE Q02156 2/20 0.49
PRKCQ Q04759 2/20 0.49
PRKCZ Q05513 2/20 0.49
PRKCD Q05655 2/20 0.49
PRKD1 Q15139 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL8912773 0.85 PRKD3 (0.54) P2RX7PRKD3PRKCGPRKCBCYP3A4
SCHEMBL8914454 0.84 P2RX7 (0.51) P2RX7PRKD3PRKCGPRKCBCYP3A4
SCHEMBL8913820 0.82 PRKD3 (0.53) P2RX7PRKD3PRKCGPRKCBCYP3A4
SCHEMBL8913773 0.82 CTSL (0.48) CYP3A4KDM4ECYP1A2CYP2C19MEN1
SCHEMBL8915081 0.80 MMP2 (0.56) MMP1MMP2MMP9MAPT
SCHEMBL7120299 0.77 P2RX7 (0.78) P2RX7SMN1; SMN2HTTMAPT
SCHEMBL9483456 0.77 P2RX7 (0.78) P2RX7SMN1; SMN2HTTMAPT
SCHEMBL9484482 0.76 P2RX7 (0.61) P2RX7F2
SCHEMBL9484479 0.76 P2RX7 (0.61) P2RX7F2
SCHEMBL8913859 0.75 CTSL (0.56) MMP1MMP2MMP9MAPT

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
US-5663174-A ANTIINFLAMMATORY AGENTS, INHIBITOR OF KINASES, ANTIARTHRITIC AGENTS PHARNO-WEDROPHARM GMBH (DE) 1997-09-02 US disclosed
EP-0602028-B1 AROMATIC SULFONAMIDE DERIVATIVES, THEIR USE AS ENZYME INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARNO WEDROPHARM GMBH (DE) 1996-01-17 EP disclosed