SCHEMBL7311496

SCHEMBL7311496

CN1C(=O)/C(=C\Nc2ccccc2)C(=O)N1c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ GFER P55789 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ITGA4 P13612 1/20 0.36
▸ ITGB7 P26010 1/20 0.36
▸ MAPT P10636 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HSP90AA1 P07900 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ S1PR4 O95977 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ S1PR1 P21453 1/20 0.35

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
SCHEMBL7311501 1.00 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AGFERL3MBTL1
SCHEMBL9525542 0.75 KMT2A (0.64) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL7311865 0.73 MEN1 (0.50) ALDH1A1MEN1KMT2AITGA4ITGB7
SCHEMBL7311870 0.73 MEN1 (0.50) ALDH1A1MEN1KMT2AITGA4ITGB7
SCHEMBL15080557 0.71 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3565158 0.69 CASP3 (0.44) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3565159 0.69 CASP3 (0.44) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11064603 0.69 MEN1 (0.44) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL13716250 0.68 MEN1 (0.50) ALDH1A1MEN1KMT2AGFERMAPT
SCHEMBL3576527 0.68 MEN1 (0.57) ALDH1A1MEN1KMT2AKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0022078-B1 PYRAZOLO-QUINOLINES, PROCESSES FOR THEIR PRODUCTION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1984-07-25 — — EP disclosed
US-4312870-A TRANQUILIZERS, ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1982-01-26 — — US disclosed
EP-0022078-A1 Pyrazolo-quinolines, processes for their production, and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1981-01-07 — — EP disclosed
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