SCHEMBL7387647

SCHEMBL7387647

CN1C(=O)C(CC(=O)Cl)c2cc(OCc3ccccc3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SRD5A2 P31213 1/20 0.43
MAOB P27338 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK14 Q16539 1/20 0.43
CREBBP Q92793 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
S1PR5 Q9H228 3/20 0.40
S1PR1 P21453 2/20 0.40
PRKX P51817 1/20 0.40
ACVR1 Q04771 1/20 0.40
NR4A2 P43354 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL7384945 0.82 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2
SCHEMBL8536351 0.80 MEN1 (0.51) KDM4CMEN1KMT2ASRD5A2MAOB
SCHEMBL7383673 0.76 CDC25A (0.48) MEN1KMT2AALDH1A1MAPTHSD17B10
SCHEMBL7385654 0.74 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6295953 0.70 MAOB (0.49) KDM4CMEN1KMT2AMAOBALDH1A1
SCHEMBL9893322 0.68 MEN1 (0.46) KDM4CMEN1KMT2ASRD5A2MAOB
SCHEMBL13401829 0.68 HDAC3 (0.52) KDM4CMEN1KMT2AMAOBALDH1A1
SCHEMBL3054083 0.68 PLA2G4B (0.64) MEN1KMT2ASRD5A2MAOBMAPT
SCHEMBL31419920 0.67 PARK7 (0.54) KDM4CMEN1KMT2AMAOBHRH3
SCHEMBL29289495 0.67 PARK7 (0.54) KDM4CMEN1KMT2AMAOBHRH3

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
US-5192770-A Antiemetic, anxiolytic, cognition activator SYNTEX (U.S.A.) INC. (US) 1993-03-09 US disclosed
EP-0490263-A1 Alpha-oxoacetamide derivatives SYNTEX (U.S.A.) INC. (US) 1992-06-17 EP disclosed