SCHEMBL9797249

SCHEMBL9797249

O=C(O)CCc1c2c(n3ccccc13)C(=O)CCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
CREBBP Q92793 1/20 0.42
LTB4R Q15722 3/20 0.39
LTB4R2 Q9NPC1 3/20 0.39
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 4/20 0.39
EGFR P00533 1/20 0.37
HDAC6 Q9UBN7 2/20 0.36
HPGD P15428 4/20 0.36
AURKA O14965 1/20 0.36
HSD17B10 Q99714 3/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
IDO1 P14902 1/20 0.35
GLA P06280 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
PDGFRB P09619 1/20 0.35
FGFR1 P11362 1/20 0.35

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
SCHEMBL9688270 0.83 TP53 (0.39) TP53CREBBPKDM4EALDH1A1HPGD
SCHEMBL10378746 0.82 KDM4E (0.41) TP53CREBBPLTB4RLTB4R2KDM4E
SCHEMBL7274369 0.80 TP53 (0.44) TP53CREBBPKDM4EALDH1A1HPGD
SCHEMBL10379105 0.80 SIGMAR1 (0.39) TP53CREBBPALDH1A1MEN1KMT2A
SCHEMBL10472794 0.78 TP53 (0.40) TP53CREBBPALDH1A1HPGDMEN1
Hydrochloric Acid SCHEMBL10379395 0.78 GAA (0.40) TP53CREBBPKDM4EALDH1A1MEN1
SCHEMBL10377920 0.77 TAAR1 (0.40) TP53CREBBPKDM4EALDH1A1HPGD
SCHEMBL10377895 0.77 SIGMAR1 (0.45)
Hydrochloric Acid SCHEMBL10377705 0.76 SIGMAR1 (0.44)
SCHEMBL9688588 0.75 MAPT (0.46) TP53CREBBPMEN1KMT2AIDO1

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