SCHEMBL9797239

SCHEMBL9797239

O=C(O)CCc1c2n(c3ccccc13)C(=O)CCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FABP4 P15090 3/20 0.40
FABP5 Q01469 3/20 0.40
FABP3 P05413 1/20 0.40
PLK1 P53350 2/20 0.40
LCK P06239 1/20 0.39
PRKACA P17612 1/20 0.39
CSNK2A2 P19784 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
GSK3B P49841 1/20 0.39
CSNK2B P67870 1/20 0.39

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
SCHEMBL10378744 0.83 HSD17B10 (0.43) EGFRKDM4EALDH1A1HSD17B10
SCHEMBL9688263 0.82 IL1R1 (0.47) KDM4EALDH1A1MEN1GLACASP1
Hydrochloric Acid SCHEMBL10377764 0.81 ALDH1A1 (0.48) KDM4EALDH1A1MEN1KMT2AALB
SCHEMBL9688855 0.81 RAB9A (0.47) ALDH1A1MEN1KMT2AHPGD
SCHEMBL9688069 0.81 HPGD (0.47) EGFRKDM4EALDH1A1MEN1KMT2A
SCHEMBL7274363 0.79 KDM4E (0.40) KDM4EALDH1A1GLAHPGD
SCHEMBL10379104 0.79 SIGMAR1 (0.44) ALBBCHEACHE
Hydrochloric Acid SCHEMBL10379123 0.78 SIGMAR1 (0.43) ALBBCHEACHEMAPT
SCHEMBL10472793 0.77 MTNR1A (0.45) ALDH1A1HPGD
SCHEMBL10378819 0.77 F9 (0.39) EGFRKDM4EALDH1A1HSD17B10

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
US-4987137-A CEREBRAL SENILITY BEECHAM WUELFING GMBH & CO., KG (DE) 1991-01-22 US disclosed
EP-0167901-B1 ACTIVE COMPOUNDS LES LABORATOIRES BEECHAM S.A. (FR) 1990-04-04 EP disclosed
US-4853391-A Pyrido[1,2-a]indoles and their use as cardiovascular LABORATOIRES SOBIO SA, 13-15-25 BOULEVARD DE 1'AMIRAL BRUIX 75782 PARIS, CEDEX 16, FRANCE 1989-08-01 US disclosed
US-4837240-A ANTIISCHEMIC, ANTHIHYPOXIC AGENTS BEECHAM-WUELFING GMBH & CO. KG (FR) 1989-06-06 US disclosed
US-4835271-A Aminoalkyl secocanthine derivatives and their use BEECHAM-WUELFING GMBH & CO., KG (DE) 1989-05-30 US disclosed
EP-0252643-A1 Pyrido[1,2-a]indole derivatives, process for their preparation and pharmaceutical compounds containing them BEECHAM - WUELFING GmbH & Co. KG (DE) 1988-01-13 EP disclosed
EP-0213696-A2 Tetrahydropyrido [1,2-a] indole derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them Beecham Wuelfing GmbH & Co KG (DE) 1987-03-11 EP disclosed