SCHEMBL17175985

SCHEMBL17175985

NC(=O)c1cccc(-c2cc(O)ccc2F)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 7/20 0.56
▸ ERN1 O75460 2/20 0.55
▸ FAAH O00519 2/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ BAZ2B Q9UIF8 1/20 0.45
▸ BAZ2A Q9UIF9 1/20 0.45
▸ DPP4 P27487 1/20 0.44
▸ AR P10275 1/20 0.44
▸ PRKCI P41743 1/20 0.44
▸ FYN P06241 2/20 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
SCHEMBL16400660 0.88 PARP1 (0.56) PARP1ERN1FAAHNPC1RAB9A
SCHEMBL13639736 0.82 PARP1 (0.61) PARP1ERN1BAZ2BBAZ2APRKCI
SCHEMBL1926792 0.82 NPC1 (0.66) PARP1ERN1FAAHNPC1RAB9A
SCHEMBL1787719 0.82 ERN1 (0.51) PARP1ERN1NPC1RAB9AAR
SCHEMBL17175628 0.81 FAAH (0.56) ERN1FAAH
SCHEMBL24163691 0.80 PARP1 (0.60) PARP1ERN1FAAHNPC1RAB9A
SCHEMBL28046033 0.79 ERN1 (0.52) PARP1ERN1FAAHNPC1RAB9A
SCHEMBL1788340 0.78 PARP1 (0.56) PARP1ERN1NPC1RAB9AAR
SCHEMBL1147444 0.78 PARP1 (0.77) PARP1ERN1FYN
SCHEMBL17175624 0.77 FAAH (0.57) PARP1ERN1FAAHBAZ2BBAZ2A

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-2015157313-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE (FAAH) ENZYME WITH IMPROVED ORAL BIOAVAILABILITY AND THEIR USE AS MEDICAMENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-10-15 — — WO disclosed
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