SCHEMBL7690683

SCHEMBL7690683

CSc1ccc(-c2ccsc2C(=N)N)cc1CO

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BCAT2 O15382 1/20 0.35
▸ C1S P09871 4/20 0.34
▸ PLAU P00749 2/20 0.34
▸ AR P10275 3/20 0.32
▸ F7 P08709 1/20 0.32
▸ F3 P13726 1/20 0.32
▸ PTGS1 P23219 1/20 0.30

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 SCHEMBL7690697 0.88 ADRA1D (0.33) BCAT2C1SPLAUARF7
SCHEMBL5841746 0.70 PLAU (0.41) BCAT2C1SPLAUAR
Hydrochloric Acid SCHEMBL7357455 0.69 PLAU (0.40) BCAT2C1SPLAUAR
SCHEMBL8084435 0.69 BCAT2 (0.68) BCAT2C1SPLAUF7F3
SCHEMBL27725762 0.69 PRSS1 (0.38) BCAT2PLAU
Hydrochloric Acid SCHEMBL8788818 0.65 NPC1 (0.38) BCAT2PLAUF7F3
Oxalic Acid SCHEMBL27447145 0.64 BCAT2 (0.70) BCAT2PLAU
SCHEMBL7695636 0.64 PRKCI (0.39) PTGS1
SCHEMBL11064216 0.62 ALOX15 (0.42) —
SCHEMBL16956443 0.62 ALDH1A1 (0.47) —

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
WO-2002020511-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2002-03-14 — — WO disclosed
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