SCHEMBL8968189

SCHEMBL8968189

CC(C)(C)c1ccc(C#N)cc1NC(=O)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.43
MAOB P27338 1/20 0.43
KMT2A Q03164 4/20 0.43
CXCR1 P25024 1/20 0.42
CXCR2 P25025 1/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
KLKB1 P03952 1/20 0.40

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
SCHEMBL9235204 0.82 KMT2A (0.36) ALDH1A1KDM4EGAAKMT2ACXCR1
SCHEMBL8968209 0.82 KMT2A (0.36) ALDH1A1KDM4EGAAKMT2ACXCR1
SCHEMBL18183996 0.81 KMT2A (0.51) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL8968160 0.81 CXCR2 (0.65) ALDH1A1KDM4EGAAKMT2ACXCR1
SCHEMBL10376952 0.78 MEN1 (0.53) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL28860755 0.78 NPC1 (0.56) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL8968156 0.77 GAA (0.49) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL10393667 0.74 ALDH1A1 (0.64) ALDH1A1KDM4EGAAKMT2AMAPT
SCHEMBL24755632 0.73 CYP1A2 (0.61) ALDH1A1KDM4EGAAKMT2AMAPT
SCHEMBL22096847 0.73 HPGD (0.45) HPGDKMT2ACXCR1CXCR2LPAR1

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
US-5547966-A Aryl urea and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-20 US disclosed
EP-0656350-A1 Biaryl urea and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-07 EP disclosed