SCHEMBL17706301

SCHEMBL17706301

C/C(=C\C=C(/O)Br)C(=O)Nc1cccc2nsnc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.55
▸ MEN1 O00255 6/20 0.55
▸ KMT2A Q03164 6/20 0.55
▸ MAPT P10636 6/20 0.55
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ RAB9A P51151 4/20 0.55
▸ L3MBTL1 Q9Y468 4/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ KDM4E B2RXH2 11/20 0.50
▸ HPGD P15428 9/20 0.50
▸ HSD17B10 Q99714 4/20 0.50
▸ HTT P42858 3/20 0.50
▸ TSHR P16473 3/20 0.50
▸ CASP1 P29466 2/20 0.50
▸ CASP7 P55210 2/20 0.50
▸ NPSR1 Q6W5P4 5/20 0.49
▸ MAPK1 P28482 3/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ CYP2C9 P11712 1/20 0.47
▸ PPARG P37231 1/20 0.47

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
SCHEMBL15881215 0.79 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4857839 0.70 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL14559557 0.70 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL19472829 0.70 MAPT (0.69) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL620680 0.69 KDM4E (0.67) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL19472596 0.68 MAPT (0.83) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL13866406 0.67 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL195375 0.67 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL17444777 0.67 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL19478571 0.67 HPGD (0.70) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2

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
EP-2716285-B9 Compounds for treating and/or preventing diseases associated with bone loss CENTRE NAT DE LA RECH SCIENT -CNRS- (FR) 2017-03-01 — — EP disclosed
EP-2716285-B1 Compounds for treating and/or preventing diseases associated with bone loss CENTRE NAT RECH SCIENT (FR) 2016-04-27 — — EP disclosed
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