SCHEMBL27701359

SCHEMBL27701359

CC(=O)c1cccc(NC(=O)NNC(=O)c2cnccn2)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.63
▸ ALDH1A1 P00352 5/20 0.61
▸ HTT P42858 2/20 0.61
▸ NPC1 O15118 3/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ HPGD P15428 1/20 0.58
▸ KMT2A Q03164 5/20 0.56
▸ MEN1 O00255 3/20 0.53
▸ TSHR P16473 2/20 0.53
▸ GAA P10253 1/20 0.51
▸ MAPT P10636 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ CTDSP1 Q9GZU7 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ USP2 O75604 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49

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
SCHEMBL11078736 0.78 RAB9A (0.74) RAB9AALDH1A1HTTNPC1SMN1; SMN2
SCHEMBL259290 0.77 RAB9A (0.69) RAB9AALDH1A1HTTNPC1SMN1; SMN2
SCHEMBL5340030 0.73 MEN1 (0.89) RAB9AALDH1A1HTTNPC1SMN1; SMN2
SCHEMBL24931106 0.72 KDM4E (0.68) RAB9AALDH1A1HTTNPC1SMN1; SMN2
SCHEMBL27701331 0.72 MCL1 (0.57) RAB9AALDH1A1HTTNPC1SMN1; SMN2
SCHEMBL12010995 0.71 RAB9A (0.64) RAB9AALDH1A1HTTNPC1SMN1; SMN2
SCHEMBL27681897 0.71 HDAC3 (0.78) ALDH1A1HTTSMN1; SMN2TSHRMAPT
SCHEMBL27701329 0.71 SMN1; SMN2 (0.55) RAB9AALDH1A1HTTNPC1SMN1; SMN2
SCHEMBL3461653 0.71 RAB9A (0.63) RAB9AALDH1A1HTTNPC1SMN1; SMN2
SCHEMBL13210583 0.70 ALDH1A1 (0.79) RAB9AALDH1A1NPC1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101087601-A Compounds for inhibiting copper-containing amine oxidases and uses thereof GENMEDICA THERAPEUTICS SL (ES) 2007-12-12 — — CN disclosed
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