SCHEMBL9259668

SCHEMBL9259668

N=C(N)c1ccc(-c2ccc(-c3cnc(CCC(=O)O)o3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.71
RXRB P28702 2/20 0.71
RXRG P48443 2/20 0.71
NQO2 P16083 8/20 0.49
FFAR1 O14842 1/20 0.48
PRMT1 Q99873 2/20 0.48
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TOP1 P11387 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HDAC3 O15379 3/20 0.45
HDAC4 P56524 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC10 Q969S8 3/20 0.45
HDAC11 Q96DB2 3/20 0.45

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
SCHEMBL9248638 0.85 RXRA (0.53) RXRARXRBRXRGNQO2PRMT1
SCHEMBL14599559 0.81 PRMT1 (0.52) RXRARXRBRXRGNQO2PRMT1
SCHEMBL18169217 0.81 RXRA (0.94) RXRARXRBRXRGFFAR1ALDH1A1
SCHEMBL18169172 0.80 RXRA (0.76) RXRARXRBRXRGFFAR1ALDH1A1
SCHEMBL6069881 0.80 RXRA (0.76) RXRARXRBRXRGFFAR1ALDH1A1
SCHEMBL18169197 0.80 RXRA (0.76) RXRARXRBRXRGFFAR1ALDH1A1
SCHEMBL9257912 0.78 NR1H4 (0.61) RXRARXRBRXRGNQO2ALDH1A1
SCHEMBL9254121 0.77 ALDH1A1 (0.64) NQO2PRMT1ALDH1A1HPGDHSD17B10
SCHEMBL14519330 0.76 PRMT1 (0.47) RXRARXRBRXRGNQO2FFAR1
SCHEMBL9255174 0.76 NQO2 (0.67) NQO2PRMT1ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed