SCHEMBL7268850

SCHEMBL7268850

CC1=C(Nc2ccccn2)C(=O)c2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ ALDH1A1 P00352 4/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TCF4 P15884 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ PSMB1 P20618 1/20 0.47
▸ PSMB5 P28074 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ CTNNB1 P35222 1/20 0.47
▸ PSMB2 P49721 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ MAPK10 P53779 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ KDR P35968 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
SCHEMBL2239357 0.81 ALDH1A1 (0.74) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL7271130 0.81 IDO1 (0.62) MEN1KMT2AALDH1A1MAPK10GFER
SCHEMBL13411338 0.81 ALDH1A1 (0.67) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL24284171 0.80 MEN1 (0.61) MEN1KMT2AALDH1A1TSHRL3MBTL1
SCHEMBL27164642 0.71 MEN1 (0.53) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL7271120 0.71 RAB9A (0.58) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL8654120 0.70 MEN1 (0.65) MEN1KMT2AALDH1A1HPGDATM
SCHEMBL16297206 0.70 KMT2A (0.65) MEN1KMT2AALDH1A1HPGDATM
SCHEMBL7264088 0.70 MEN1 (0.44) MEN1KMT2AALDH1A1CYP2C19HSD17B10
SCHEMBL221242 0.70 KMT2A (0.76) MEN1KMT2AALDH1A1HPGDALOX15

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-6653311-B1 Minimal or no effect on cycloxygenase-1 and -2 activity BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY 2003-11-25 — — US claimed
US-6653311-B1 Minimal or no effect on cycloxygenase-1 and -2 activity BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY 2003-11-25 — — US disclosed
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