SCHEMBL7681201

SCHEMBL7681201

Sc1nc2ccccc2n1CCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.62
LMNA P02545 2/20 0.60
RECQL P46063 1/20 0.60
MAPT P10636 1/20 0.60
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
KDM4E B2RXH2 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
PKM P14618 1/20 0.56
HTR3A P46098 1/20 0.54
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TNF P01375 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL14557079 0.87 CXCR4 (0.52) POLBLMNARECQLMAPTMEN1
SCHEMBL5199559 0.84 TNF (0.65) LMNAMAPTMEN1KMT2AKDM4E
SCHEMBL14557060 0.82 CXCR4 (0.61) POLBLMNAMAPTALDH1A1TP53
SCHEMBL9671285 0.81 MEN1 (0.69) LMNARECQLMAPTMEN1KMT2A
SCHEMBL3140332 0.81 POLB (0.65) POLBLMNARECQLMAPTMEN1
SCHEMBL8659167 0.81 KDM4E (0.54) POLBLMNAMEN1KMT2AKDM4E
SCHEMBL540958 0.79 TNF (0.73) POLBLMNARECQLMAPTMEN1
SCHEMBL11715808 0.79 CXCR4 (0.72) POLBLMNARECQLMAPTMEN1
SCHEMBL31357207 0.79 KDM4E (0.65) POLBLMNAKMT2AKDM4EL3MBTL1
SCHEMBL11104091 0.79 KDM4E (0.65) POLBLMNAKMT2AKDM4EL3MBTL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119452041-A Composition and method for producing the same 默克专利有限公司 2025-02-14 CN disclosed
US-6376666-B1 PSYCHOLOGICAL DISORDERS; CARDIOVASCUALR DISORDERS NAUCHNO-ISSLEDOVATELSKY INSTITUT FARMAKOLOGII ROSSIISKOI AKADEMII MEDITSINSKIKH NAUK (RU) 2002-04-23 US disclosed
EP-0788795-A1 PHARMACOLOGICALLY ACTIVE 2-MERCAPTOBENZIMIDAZOLE DERIVATIVES NAUCHNO-ISSLEDOVATELSKY INSTITUT FARMAKOLOGII AKADEMII MEDITSINSKIKH NAUK (RU) 1997-08-13 EP disclosed
EP-0190817-B1 DOPAMINE-BETA-HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1990-09-05 EP disclosed
US-4857540-A 1-SUBSTITUTED-2-MERCAPTO-(OR AMINOMETHYL-)BENZAMIDAZOLE COMPOUNDS SMITHKLINE BECKMAN CORPORATION (US) 1989-08-15 US disclosed
US-4728741-A DOPAMINE BETA-HYDROXYLASE INHIBITOR SMITHKLINE BECKMAN CORPORATION (US) 1988-03-01 US disclosed
EP-0190817-A1 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1986-08-13 EP disclosed