SCHEMBL6745220

SCHEMBL6745220

O=C1Nc2cccc(CCO)c2C1Cc1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.41
MAPT P10636 6/20 0.39
TP53 P04637 5/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FFAR1 O14842 1/20 0.34
PPARA Q07869 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CREBBP Q92793 1/20 0.33
CES2 O00748 1/20 0.32
MDM2 Q00987 1/20 0.32

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
SCHEMBL6746665 0.88 GSK3B (0.44) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL6744080 0.75 POLB (0.33) GSK3BMAPTTP53POLBLMNA
SCHEMBL5733322 0.69 GSK3B (0.48) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL7734085 0.68 HSD17B10 (0.46) GSK3BMAPTTP53POLBLMNA
SCHEMBL154311 0.64 DRD2 (0.61) GSK3BLMNAKDM4E
SCHEMBL17070929 0.63 GSK3B (0.58) GSK3BMAPTTP53KDM4EGAA
SCHEMBL5733348 0.63 SIRT2 (0.46) GSK3BMAPTLMNAKDM4EGAA
SCHEMBL6742680 0.62 CDK2 (0.53)
SCHEMBL26987950 0.62 HTR2A (0.46) FFAR1
SCHEMBL6600515 0.62 PGR (0.47) GSK3BMAPTTP53POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689806-B1 MODULATING PROTEIN KINASES AND RELATED SIGNAL TRANSDUCTION PATHWAYS SUGEN, INC. 2004-02-10 US disclosed
EP-1165513-A1 INDOLINONE COMPOUNDS AS KINASE INHIBITORS Sugen, Inc. (US) 2002-01-02 EP disclosed
WO-2000056709-A1 INDOLINONE COMPOUNDS AS KINASE INHIBITORS SUGEN, INC. (US) 2000-09-28 WO disclosed