SCHEMBL9602129

SCHEMBL9602129

O=C(O)c1[c]cc2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.48
ALDH1A1 P00352 7/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CNR2 P34972 1/20 0.41
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
HPGD P15428 3/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
PRNP P04156 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL5777774 0.83 IKBKB (0.46) MGAMALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL5507882 0.79 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL269764 0.71 ALDH1A1 (0.42) MGAMALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL6295848 0.71 ALDH1A1 (0.52) MGAMALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL2996550 0.68 PDE10A (0.40) MGAMALDH1A1MAPTKDM4EKMT2A
SCHEMBL8210849 0.68 KDM4E (0.45) SMN1; SMN2MAPTKDM4EKMT2AMEN1
SCHEMBL466391 0.67 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL19359 0.67 CYP1A2 (0.46) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL4717309 0.67 NCF1 (0.46) ALDH1A1SMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL529257 0.67 ALDH1A1 (0.42) MGAMALDH1A1SMN1; SMN2MAPTKDM4E

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
US-5217963-A Antiischemic, antiepileptic agent CIBA-GEIGY CORPORATION (US) 1993-06-08 US disclosed
US-5057506-A Anticonvulsants, antispasmodic and antischemic agents CIBA-GEIGY CORPORATION (US) 1991-10-15 US disclosed
US-4906621-A Certain 2-carboxypiperidyl-alkylene phosphonic acids and esters thereof useful for the treatment of disorders responsive to N-methyl-D-aspartate receptor blockade CIBA-GEIGY CORPORATION (US) 1990-03-06 US disclosed
US-4898854-A NERVOUS SYSTEM DISORDERS CIBA-GEIGY CORPORATION (US) 1990-02-06 US disclosed
US-4746653-A ANTAGONISTS OF N-METHYL-D-ASPARTATE SENSITIVE EXCITATORY AMINO ACID RECEPTOR; TREATMENT OF MUSCULAR SPASMS, CONVULSIVE DISORDERS AND ANXIETY CIBA-GEIGY CORPORATION (US) 1988-05-24 US disclosed