SCHEMBL8913773

SCHEMBL8913773

O=C(NN1CCNCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2c(Cl)cccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.48
CTSB P07858 2/20 0.48
CTSS P25774 2/20 0.48
CTSK P43235 2/20 0.48
MAPK1 P28482 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
CYP2D6 P10635 1/20 0.43
NFKB1 P19838 1/20 0.43
KMT2A Q03164 1/20 0.43
MYLK Q15746 1/20 0.43
GMNN O75496 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
PMP22 Q01453 1/20 0.43
USP30 Q70CQ3 8/20 0.42
HTT P42858 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
SCHEMBL8914327 0.84 CYP3A4 (0.48) MAPK1CYP1A2CYP3A4CYP2C9MEN1
SCHEMBL8913765 0.83 F2 (0.49) CTSLCTSBCTSSCTSKMAPK1
SCHEMBL8915081 0.83 MMP2 (0.56) CTSLCTSBCTSSCTSKMAPT
SCHEMBL8914458 0.82 P2RX7 (0.50) CYP1A2CYP3A4MEN1CYP2D6KMT2A
SCHEMBL8914340 0.81 CYP3A4 (0.47) MAPK1CYP1A2CYP3A4CYP2C9MEN1
SCHEMBL8913859 0.78 CTSL (0.56) CTSLCTSBCTSSCTSKTP53
SCHEMBL8913470 0.70 HTT (0.50) CTSLCTSBCTSSCTSKMAPK1
SCHEMBL8914317 0.70 CYP3A4 (0.46) MAPK1CYP1A2CYP3A4CYP2C9MEN1
SCHEMBL8914335 0.69 ALDH1A1 (0.45) MAPK1CYP1A2CYP3A4CYP2C9MEN1
SCHEMBL7475615 0.68 NPY5R (0.53) MEN1KMT2AUSP30HTTF2

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 3 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
WO-1993005014-A1 AROMATIC SULFONAMIDE DERIVATIVES, THEIR USE AS ENZYME INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARNO-WEDROPHARM GMBH (DE) 1993-03-18 WO disclosed