SCHEMBL6743555

SCHEMBL6743555

CC(C)c1cc(C=O)ccc1OCCN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ POLB P06746 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ DRD1 P21728 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ DRD5 P21918 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ P2RY12 Q9H244 1/20 0.44
▸ SYK P43405 1/20 0.44
▸ LRRK2 Q5S007 1/20 0.43

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
SCHEMBL6411154 0.85 MEN1 (0.53) KMT2AMEN1POLBALDH1A1SYK
SCHEMBL19129648 0.84 MEN1 (0.57) KMT2AMEN1POLBTSHRALDH1A1
SCHEMBL5692621 0.84 POLB (0.56) KMT2AMEN1POLBTSHRALDH1A1
SCHEMBL29570200 0.82 ALDH1A1 (0.65) KMT2ATSHRALDH1A1MAPTHTT
SCHEMBL4048998 0.82 ALDH1A1 (0.65) KMT2ATSHRALDH1A1MAPTHTT
SCHEMBL4056455 0.82 ALDH1A1 (0.59) KMT2ATSHRALDH1A1MAPTHTT
SCHEMBL12290760 0.82 MEN1 (0.56) KMT2AMEN1POLBTSHRDRD1
SCHEMBL6740319 0.82 ALDH1A1 (0.47) KMT2AMEN1TSHRALDH1A1
Hydrochloric Acid SCHEMBL5692356 0.81 ALDH1A1 (0.64) KMT2ATSHRALDH1A1MAPTHTT
SCHEMBL5692306 0.81 ALDH1A1 (0.51) POLBTSHRALDH1A1MAPTHTT

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
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