SCHEMBL9300437

SCHEMBL9300437

COCCNC(=O)c1ccc(Br)c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.60
TP53 P04637 2/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 2/20 0.52
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL14435529 0.86 HPGD (0.65) HPGDTP53ALDH1A1MAPTKMT2A
SCHEMBL12553807 0.85 HPGD (0.60) HPGDTP53ALDH1A1MAPTKMT2A
SCHEMBL9435241 0.84 HPGD (0.55) HPGDTP53ALDH1A1KMT2A
SCHEMBL15658862 0.84 TP53 (0.67) HPGDTP53ALDH1A1KMT2AMEN1
SCHEMBL9996871 0.83 HPGD (0.48) HPGDALDH1A1KMT2ANPC1RAB9A
SCHEMBL14054114 0.83 CA1 (0.54) HPGDALDH1A1KMT2ANPC1RAB9A
SCHEMBL436277 0.82 KMT2A (0.55) HPGDTP53ALDH1A1MAPTKMT2A
SCHEMBL20662751 0.82 TP53 (0.68) HPGDTP53ALDH1A1KMT2AMEN1
SCHEMBL451696 0.81 LMNA (0.54) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13753881 0.81 HPGD (0.51) HPGDALDH1A1MAPTKMT2AMEN1

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-5356893-A Antidepressants, nervous system disorders GLAXO GROUP LIMITED (GB) 1994-10-18 US disclosed
EP-0533266-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 EP disclosed