SCHEMBL9567942

SCHEMBL9567942

N=C(N)c1cc2c(ccc3ccccc32)s1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F9 P00740 13/20 0.57
PLAU P00749 9/20 0.57
F10 P00742 8/20 0.57
HPRT1 P00492 2/20 0.43
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
KLKB1 P03952 1/20 0.42
KLK1 P06870 1/20 0.42
PRSS1 P07477 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
Hydrochloric Acid SCHEMBL9432197 0.98 PLAU (0.58) F9PLAUF10HPRT1F2
SCHEMBL28537323 0.85 LIMK1 (0.48) F9PLAUF10
SCHEMBL30583137 0.78 F9 (0.65) F9PLAUF10
SCHEMBL563279 0.78 F9 (0.65) F9PLAUF10
Hydrochloric Acid SCHEMBL9402488 0.77 F9 (0.66) F9PLAUF10
Hydrochloric Acid SCHEMBL9431489 0.76 KDM4E (0.54) F9PLAUF10HPRT1F2
SCHEMBL9431295 0.74 ALDH1A1 (0.60)
SCHEMBL17934651 0.74 ALDH1A1 (0.48) HPRT1
SCHEMBL13709504 0.74 F9 (0.68) F9PLAUF10F2PLG
Hydrochloric Acid SCHEMBL9432183 0.74 F9 (0.62) F9PLAUF10F2PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0568289-A2 Benzothiophenes and thienothiophenes and related compounds useful, for example, as urokinase inhibitors Eisai Co., Ltd. (JP) 1993-11-03 EP disclosed