SCHEMBL9700936

SCHEMBL9700936

COc1ccc2c(=O)cc[nH]c2c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.57
KMT2A Q03164 1/20 0.55
CYP19A1 P11511 2/20 0.50
NQO2 P16083 2/20 0.50
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 3/20 0.41
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
S1PR4 O95977 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
G6PD P11413 1/20 0.39
S1PR1 P21453 1/20 0.39
MAPK1 P28482 1/20 0.39
OPRK1 P41145 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 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
SCHEMBL19890539 0.81 CCR8 (0.55) CCR8KMT2ACYP19A1NQO2KDM4E
SCHEMBL30940174 0.81 CCR8 (0.55) CCR8KMT2ACYP19A1NQO2KDM4E
SCHEMBL7283419 0.81 CCR8 (0.55) CCR8KMT2AKDM4EALDH1A1HDAC4
SCHEMBL7291038 0.81 CYP19A1 (0.50) CCR8KMT2ACYP19A1NQO2KDM4E
SCHEMBL4374264 0.81 CCR8 (0.44) CCR8KMT2A
SCHEMBL29052296 0.77 KDM4E (0.57) CCR8KMT2ANQO2KDM4EALDH1A1
SCHEMBL10158695 0.77 CCR8 (0.47) CCR8KMT2ACYP19A1NQO2KDM4E
SCHEMBL19318056 0.74 CCR8 (1.00) CCR8KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL30774416 0.74 CCR8 (1.00) CCR8KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7835424 0.74 BRD4 (0.45) KMT2ACYP19A1NQO2KDM4EALDH1A1

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
US-5081121-A Cardiotonic agents KIRIN BEER KABUSHIKI KAISHA (JP) 1992-01-14 US disclosed