SCHEMBL11512263

SCHEMBL11512263

CC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(O)c23)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIMP3 P35625 5/20 0.68
MEN1 O00255 2/20 0.54
USP2 O75604 2/20 0.54
RECQL P46063 2/20 0.54
KMT2A Q03164 2/20 0.54
HSD17B10 Q99714 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HPSE Q9Y251 4/20 0.52
ENPP3 O14638 1/20 0.52
ENTPD3 O75355 1/20 0.52
NR1I2 O75469 1/20 0.52
PRKD3 O94806 1/20 0.52
TDP2 O95551 1/20 0.52
CBX7 O95931 1/20 0.52
NSD2 O96028 1/20 0.52
ESR1 P03372 1/20 0.52
PRKCG P05129 1/20 0.52
CYP1A2 P05177 1/20 0.52
PRKCB P05771 1/20 0.52

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
SCHEMBL11511316 0.89 RECQL (0.71) TIMP3MEN1USP2RECQLKMT2A
SCHEMBL942276 0.87 CASP6 (0.51) TIMP3MEN1USP2RECQLKMT2A
SCHEMBL6561310 0.85 TIMP3 (0.62) TIMP3MEN1USP2RECQLKMT2A
SCHEMBL30818027 0.85 APEX1 (0.66) TIMP3MEN1USP2RECQLKMT2A
SCHEMBL4649703 0.85 APEX1 (0.66) TIMP3MEN1USP2RECQLKMT2A
SCHEMBL9803468 0.85 KMT2A (0.53) TIMP3MEN1USP2RECQLKMT2A
SCHEMBL18136599 0.84 TIMP3 (0.93) TIMP3MEN1USP2RECQLKMT2A
SCHEMBL7653343 0.84 APEX1 (0.71) TIMP3MEN1USP2RECQLKMT2A
SCHEMBL11579638 0.82 APEX1 (0.72) TIMP3ALDH1A1MAPTPRMT1APEX1
SCHEMBL10413972 0.82 TIMP3 (0.58) TIMP3MEN1USP2RECQLKMT2A

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-4134887-A FIBER-REACTIVE HOECHST AKTIENGESELLSCHAFT (DE) 1979-01-16 US disclosed
US-4066638-A WATER-SOLUBLE FIBER REACTIVE PHENYL-AZO-NAPHTHYL DYESTUFFS CONTAINING TWO SULFO GROUPS IN THE PHENYL MOIETY HOECHST AKTIENGESELLSCHAFT (DT) 1978-01-03 US disclosed