SCHEMBL9635601

SCHEMBL9635601

Cc1ccc2cc(C#N)c(=O)oc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.67
CA9 Q16790 1/20 0.67
MEN1 O00255 2/20 0.66
GLA P06280 2/20 0.66
KMT2A Q03164 2/20 0.66
KDM4E B2RXH2 2/20 0.61
MAPT P10636 1/20 0.61
GPR35 Q9HC97 4/20 0.54
ALDH1A1 P00352 2/20 0.51
MAOB P27338 4/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MAOA P21397 1/20 0.46
CA4 P22748 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
NT5E P21589 1/20 0.43
HSD17B3 P37058 1/20 0.42

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
SCHEMBL15842472 0.83 MIF (0.71) MIFCA9MEN1GLAKMT2A
SCHEMBL15179156 0.82 MAOB (0.46) MIFCA9MEN1GLAKMT2A
SCHEMBL29943964 0.80 MIF (0.67) MIFCA9MEN1GLAKMT2A
SCHEMBL24715090 0.80 MIF (0.67) MIFCA9MEN1GLAKMT2A
SCHEMBL480127 0.80 MIF (1.00) MIFCA9MEN1GLAKMT2A
SCHEMBL11780907 0.80 MEN1 (0.72) MIFCA9MEN1GLAKMT2A
SCHEMBL13487320 0.80 MAOB (0.46) MIFCA9MEN1GLAKMT2A
SCHEMBL1094715 0.80 GLA (1.00) MIFCA9MEN1GLAKMT2A
SCHEMBL15842406 0.78 GPR35 (0.65) MIFCA9MEN1GLAKMT2A
SCHEMBL622794 0.77 KDM4E (0.64) MIFCA9MEN1GLAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5082849-A Antiinflammatory agents or antiallergens AVENTIS PHARMACEUTICALS INC. 1992-01-21 US disclosed
EP-0434827-A4 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? 1992-01-08 EP disclosed
EP-0434827-A1 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? RORER INTERNATIONAL (HOLDINGS), INC. (US) 1991-07-03 EP disclosed
WO-1991001123-A2 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? RORER INTERNATIONAL (OVERSEAS) INC. (US) 1991-02-07 WO disclosed