SCHEMBL27408754

SCHEMBL27408754

O=C(O)c1cc(NC(=O)c2ccccc2Br)ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
NPC1 O15118 5/20 0.59
RAB9A P51151 5/20 0.59
ACLY P53396 1/20 0.57
PNLIP P16233 1/20 0.57
PPARG P37231 1/20 0.57
PPARA Q07869 1/20 0.57
NR1H4 Q96RI1 1/20 0.57
MAPT P10636 3/20 0.56
GAA P10253 1/20 0.56
ALDH1A1 P00352 2/20 0.54
USP2 O75604 1/20 0.54
TP53 P04637 1/20 0.54
HPGD P15428 1/20 0.54
MAPK1 P28482 1/20 0.54
KDM4E B2RXH2 2/20 0.53
POLB P06746 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
SMO Q99835 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
SCHEMBL13171396 0.87 PNLIP (0.64) KMT2AMEN1NPC1RAB9APNLIP
SCHEMBL27315886 0.83 KMT2A (0.64) KMT2AMEN1NPC1RAB9AACLY
SCHEMBL27353059 0.83 DHODH (0.63) KMT2AMEN1ACLYPNLIPPPARG
SCHEMBL19976062 0.82 NPC1 (0.73) KMT2AMEN1NPC1RAB9AACLY
SCHEMBL9197072 0.82 F2R (0.55) KMT2AMEN1NPC1RAB9APNLIP
SCHEMBL17538444 0.81 CYP1A2 (0.62) KMT2AMEN1ACLYPPARGPPARA
SCHEMBL11592306 0.81 SMO (0.65) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL7252190 0.81 NPC1 (0.65) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL17154495 0.80 GRM4 (0.63) KMT2AMEN1NPC1RAB9APNLIP
SCHEMBL10489740 0.79 NPC1 (0.69) KMT2AMEN1NPC1RAB9AMAPT

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-1051036-A The treatment of HIV (human immunodeficiency virus) infections and in treatment used compound UNIROYAL CHEM CO INC (US) 1991-05-01 CN claimed