SCHEMBL7226548

SCHEMBL7226548

CCOC(=O)C1CCCN1Cc1ccc(N)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.67
▸ KDM4E B2RXH2 8/20 0.67
▸ TSHR P16473 2/20 0.60
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ RECQL P46063 1/20 0.56
▸ POLB P06746 2/20 0.55
▸ PPIB P23284 1/20 0.47
▸ ATM Q13315 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ SPHK1 Q9NYA1 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL4937902 0.87 MEN1 (0.71) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL1904635 0.87 MEN1 (0.71) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL3143329 0.87 ALDH1A1 (0.52) ALDH1A1KDM4ETSHRL3MBTL1SPHK1
SCHEMBL1188654 0.87 MEN1 (0.71) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL1627052 0.83 MEN1 (0.77) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL7625352 0.82 KDM4E (0.73) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL15652882 0.81 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2SPHK1
SCHEMBL11865724 0.80 KDM4E (0.65) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL14711764 0.79 F10 (0.47) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL2769755 0.79 MEN1 (0.64) ALDH1A1KDM4ETSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6545035-B1 Having effect on various kinases and cycline/CDK complexes and on the proliferation of various tumour cells. BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-04-08 — — US disclosed
US-6319918-B1 FOR LYMPHOMA OR SOLID TUMORS TREATMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-20 — — US disclosed
CN-1303374-A Substituted indolinones, process for their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA (DE) 2001-07-11 — — CN disclosed
EP-1100779-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2001-05-23 — — EP disclosed
WO-1999062882-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-12-09 — — WO disclosed
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