SCHEMBL17676993

SCHEMBL17676993

CC(C)(C)[C@H]1Nc2ccccc2NC1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 5/20 0.58
BRPF1 P55201 1/20 0.58
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 7/20 0.45
MAPT P10636 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RAB9A P51151 2/20 0.45
ALOX15 P16050 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 2/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
BRD4 O60885 4/20 0.44
EP300 Q09472 1/20 0.44
PARP1 P09874 1/20 0.41
GAA P10253 3/20 0.40
HSD17B10 Q99714 3/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL10327065 1.00 CREBBP (0.58) CREBBPBRPF1KDM4EALDH1A1MAPT
SCHEMBL24852604 0.85 CREBBP (0.55) CREBBPBRPF1KDM4EALDH1A1MAPT
SCHEMBL24852624 0.85 CREBBP (0.55) CREBBPBRPF1KDM4EALDH1A1MAPT
SCHEMBL24852622 0.85 CREBBP (0.55) CREBBPBRPF1KDM4EALDH1A1MAPT
SCHEMBL22722359 0.81 CREBBP (0.50) CREBBPBRPF1KDM4EALDH1A1MAPT
SCHEMBL28448324 0.81 CREBBP (0.53) CREBBPBRPF1KDM4EALDH1A1MAPT
SCHEMBL14172475 0.78 CREBBP (0.53) CREBBPBRPF1KDM4EALDH1A1MAPT
SCHEMBL13870695 0.75 BRPF1 (0.44) CREBBPBRPF1KDM4EALDH1A1MAPT
SCHEMBL17169671 0.74 TNKS2 (0.44) CREBBPBRPF1KDM4EALDH1A1SMN1; SMN2
SCHEMBL23615537 0.74 CREBBP (0.59) CREBBPBRPF1KDM4EALDH1A1MAPT

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-2438989-B1 USE OF ASYMMETRIC HYDROGENATION CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2016-04-13 EP disclosed