SCHEMBL9739408

SCHEMBL9739408

COc1cc2c(cc1OC)C(=O)N(C(C)C1CCCNC1)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ KDM4E B2RXH2 6/20 0.39
▸ MAPK1 P28482 6/20 0.39
▸ HSD17B10 Q99714 5/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ TSHR P16473 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ USP2 O75604 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTR2C P28335 8/20 0.38
▸ HTR2B P41595 5/20 0.38
▸ HTR2A P28223 5/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL7440822 0.77 HTR2C (0.52) MEN1KMT2AALDH1A1HTR2CHTR2B
SCHEMBL10296104 0.76 MEN1 (0.65) MEN1KMT2AKDM4EMAPK1HSD17B10
SCHEMBL9216049 0.75 MEN1 (0.48) MEN1KMT2AKDM4EMAPK1HSD17B10
SCHEMBL9204844 0.73 MEN1 (0.49) MEN1KMT2AHTR2CHTR2BHTR2A
SCHEMBL9208378 0.72 MEN1 (0.47) MEN1KMT2AKDM4EMAPK1HSD17B10
SCHEMBL9207673 0.72 MEN1 (0.47) MEN1KMT2AALOX15MAPT
SCHEMBL9216770 0.71 MEN1 (0.46) MEN1KMT2AKDM4EMAPK1HSD17B10
SCHEMBL9209711 0.70 MEN1 (0.50) MEN1KMT2AKDM4EMAPK1HSD17B10
SCHEMBL9207494 0.68 PARP1 (0.48) MEN1KMT2AHTR2CHTR2BHTR2A
SCHEMBL9666453 0.66 KMT2A (0.55) MEN1KMT2AKDM4EMAPK1HSD17B10

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-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 — — US disclosed
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