SCHEMBL9422985

SCHEMBL9422985

COc1cccc(NC(=O)c2cc(Br)c(Br)s2)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
MEN1 O00255 2/20 0.62
MAPT P10636 1/20 0.62
RAB9A P51151 8/20 0.62
NPC1 O15118 6/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
RXFP1 Q9HBX9 1/20 0.58
ALDH1A1 P00352 2/20 0.57
NLRP3 Q96P20 1/20 0.57
TP53 P04637 1/20 0.57
PKM P14618 1/20 0.57
HTT P42858 1/20 0.54
THRB P10828 1/20 0.53
POLB P06746 1/20 0.53
TRPV1 Q8NER1 1/20 0.52
GRM4 Q14833 1/20 0.52

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
SCHEMBL12496728 0.83 RAB9A (0.67) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL4923339 0.79 HPGD (0.61) MAPTRAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL14100171 0.78 RAB9A (0.65) KMT2ARAB9ANPC1SMN1; SMN2RXFP1
SCHEMBL2530312 0.77 RAB9A (1.00) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL1499642 0.77 RAB9A (1.00) KMT2ARAB9ANPC1SMN1; SMN2RXFP1
SCHEMBL30758588 0.77 RAB9A (1.00) KMT2ARAB9ANPC1SMN1; SMN2RXFP1
SCHEMBL10055020 0.75 NPC1 (0.94) KMT2ARAB9ANPC1SMN1; SMN2RXFP1
SCHEMBL9422578 0.75 KMT2A (0.68) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL4248632 0.75 RAB9A (0.81) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL28870516 0.75 RAB9A (0.71) KMT2ARAB9ANPC1SMN1; SMN2RXFP1

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
US-5369124-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1994-11-29 US claimed