SCHEMBL16059449

SCHEMBL16059449

Cc1cc2onc(N(C(=O)O)C(=O)OC(C)(C)C)c2cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
FAAH O00519 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
BRD4 O60885 3/20 0.31
KMO O15229 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
SCHEMBL16059924 0.94 KMT2A (0.36) ALDH1A1KMT2ANPC1POLBRAB9A
SCHEMBL16062000 0.85 ALDH1A1 (0.32) ALDH1A1KMT2A
SCHEMBL16880943 0.82 MAPT (0.46) KMT2APOLBFAAH
SCHEMBL16060957 0.79 ALDH1A1 (0.33) ALDH1A1KMT2AFAAH
SCHEMBL16059401 0.77 SCN9A (0.44) KMT2APOLB
SCHEMBL17981237 0.76 PDPK1 (0.32)
SCHEMBL16880936 0.76 AKT1 (0.35) FAAH
SCHEMBL16061036 0.76 SCN9A (0.33)
SCHEMBL20394931 0.76 SCN9A (0.33)
SCHEMBL1759441 0.75 MAPT (0.46) POLBFAAH

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
EP-2970156-A2 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF Genentech, Inc. (US) 2016-01-20 EP disclosed
WO-2014144545-A2 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-09-18 WO disclosed