SCHEMBL11499232

SCHEMBL11499232

NC(=O)C(c1ccccc1)n1cccn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
CYP19A1 P11511 2/20 0.39
EPHX1 P07099 1/20 0.38
ELANE P08246 1/20 0.37
HMOX2 P30519 1/20 0.37
LMNA P02545 2/20 0.37
EGLN1 Q9GZT9 4/20 0.36
GAA P10253 1/20 0.36
NR3C2 P08235 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
ADA P00813 1/20 0.34
CYP2D6 P10635 1/20 0.34
SRC P12931 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34

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
SCHEMBL17675338 0.89 HDAC8 (0.34) TSHRELANELMNAHDAC8
SCHEMBL5134511 0.86 LMNA (0.46) TSHRCYP19A1HMOX2LMNAEGLN1
SCHEMBL11493283 0.83 TSHR (0.41) TSHRCYP19A1ELANEHMOX2LMNA
SCHEMBL17825837 0.80 CYP19A1 (0.59) CYP19A1
SCHEMBL14857936 0.80 KMT2A (0.51) TSHRLMNAEGLN1NR3C2
SCHEMBL4921147 0.77 MMP8 (0.44) TSHRLMNAGAA
SCHEMBL27494651 0.75 CYP19A1 (0.57) CYP19A1GAAADACYP2D6
SCHEMBL27713002 0.75 TSHR (0.43) TSHRLMNA
SCHEMBL3996750 0.74 CYP19A1 (0.46) TSHRCYP19A1
SCHEMBL3557226 0.74 NOTUM (0.41) CYP19A1LMNAGAACYP2D6

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109415321-A aromatic sulfonamide derivatives 拜耳制药股份公司 2019-03-01 CN claimed
CN-101010315-A Substituted pyrazolyl urea derivatives useful in the treatment of cancer BAYER PHARMACEUTICALS CORP (US) 2007-08-01 CN claimed
EP-3458443-A1 AROMATIC SULFONAMIDE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2019-03-27 EP disclosed
CN-109415321-A aromatic sulfonamide derivatives 拜耳制药股份公司 2019-03-01 CN disclosed
WO-2017191000-A9 AROMATIC SULFONAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-12-27 WO disclosed
WO-2017191000-A1 AROMATIC SULFONAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-09 WO disclosed
CN-101010315-A Substituted pyrazolyl urea derivatives useful in the treatment of cancer BAYER PHARMACEUTICALS CORP (US) 2007-08-01 CN disclosed
US-4239901-A ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1980-12-16 US disclosed