SCHEMBL6603660

SCHEMBL6603660

O=C(NCc1c[nH]cn1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
PIN1 Q13526 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CDK5 Q00535 1/20 0.35
TAOK1 Q7L7X3 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
KDM5C P41229 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
CA3 P07451 2/20 0.33
CA5A P35218 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL27938884 0.84 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL16133692 0.83 MAPT (0.40) SMN1; SMN2ALDH1A1POLBCA2CA7
SCHEMBL24306043 0.80 RIPK1 (0.33)
SCHEMBL20501735 0.79 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL18281971 0.77 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL16136378 0.77 NPSR1 (0.50) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL20625813 0.75 RIPK1 (0.33)
SCHEMBL19347394 0.75 HSD17B10 (0.34) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL22455533 0.74 RAB9A (0.39) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL25836666 0.74 L3MBTL1 (0.49) ALDH1A1MEN1KMT2ACA12CA2

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
CN-1161344-C 6,7-asymmetrically disubstituted quinoxalinecarboxylic acid derivatives, addition salts thereof and process for preparation of both ������ҩ��ʽ���� 2004-08-11 CN disclosed
EP-1020453-B1 6,7-ASYMMETRICALLY DISUBSTITUTED QUINOXALINECARBOXYLIC ACID DERIVATIVES, ADDITION SALTS THEREOF, AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN SEIYAKU KK (JP) 2004-05-19 EP disclosed
US-6348461-B1 CENTRAL NERVOUS SYSTEM ANTAGONIST WITH HETEROCYCLIC SUBSTITUENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
CN-1269794-A 6,7-asymmetrically disubstituted quinoxalinecarboxylic acid derivatives, addition salts thereof and process for preparation of both KYORIN SEIYAKU KK (JP) 2000-10-11 CN disclosed
EP-1020453-A1 6,7-ASYMMETRICALLY DISUBSTITUTED QUINOXALINECARBOXYLIC ACID DERI VATIVES, ADDITION SALTS THEREOF, AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed