SCHEMBL9197340

SCHEMBL9197340

N#Cc1cccc(C(O)c2cccnc2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
CYP19A1 P11511 1/20 0.54
CYP17A1 P05093 2/20 0.49
KCNA5 P22460 4/20 0.48
KCNH2 Q12809 2/20 0.48
VNN1 O95497 2/20 0.48
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
MGLL Q99685 1/20 0.45
CHRNB2 P17787 2/20 0.44
CHRNA5 P30532 2/20 0.44
CHRNA4 P43681 2/20 0.44
CYP11B2 P19099 2/20 0.43
CYP11B1 P15538 2/20 0.43
NEK1 Q96PY6 1/20 0.41

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
SCHEMBL4380408 0.84 CYP19A1 (0.42) SMN1; SMN2CYP19A1CYP17A1KCNA5VNN1
SCHEMBL13971463 0.84 CYP19A1 (0.71) SMN1; SMN2CYP19A1CYP17A1KCNA5LMNA
SCHEMBL1378201 0.82 CYP19A1 (0.51) CYP19A1CYP17A1KCNA5KCNH2VNN1
SCHEMBL1240925 0.82 CYP19A1 (0.51) SMN1; SMN2CYP19A1CYP17A1KCNA5KCNH2
SCHEMBL28242040 0.81 CYP19A1 (0.54) SMN1; SMN2CYP19A1CYP17A1KCNA5KCNH2
SCHEMBL18595855 0.81 CYP19A1 (0.54) CYP19A1CYP17A1KCNA5KCNH2VNN1
SCHEMBL30961611 0.80 TSHR (0.48) SMN1; SMN2TSHRMGLL
SCHEMBL1507787 0.80 TSHR (0.48) SMN1; SMN2TSHRMGLL
SCHEMBL1381350 0.80 CYP19A1 (0.49) CYP19A1CYP17A1KCNA5KCNH2VNN1
SCHEMBL1381261 0.80 CYP19A1 (0.49) CYP19A1CYP17A1KCNA5KCNH2VNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0471259-B1 Phenylsulfonamid substituted pyridinealken- and aminooxyalkan-carboxylic-acid derivatives BAYER AG (DE) 1995-05-17 EP disclosed
US-5185348-A Inhibit platelet aggregation BAYER AKTIENGESELLSCHAFT (DE) 1993-02-09 US disclosed
US-5155121-A Anticoagulants, antiischemic agent BAYER AKTIENGESELLSCHAFT (DE) 1992-10-13 US disclosed
EP-0471259-A1 Phenylsulfonamid substituted pyridinealken- and aminooxyalkan-carboxylic-acid derivatives BAYER AG (DE) 1992-02-19 EP disclosed