SCHEMBL9204465

SCHEMBL9204465

CC(C)c1cc(NC(=O)c2ccccc2Br)cc(C(=O)O)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2R P25116 5/20 0.52
GAA P10253 2/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
F10 P00742 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BCL2 P10415 1/20 0.45
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL9203707 0.86 DHODH (0.56) F2RGAAKMT2AMEN1NPC1
SCHEMBL9199984 0.85 TDP1 (0.54) GAAMAPTKMT2AMEN1LMNA
SCHEMBL9202946 0.85 KMT2A (0.51) F2RGAAMAPTKMT2AMEN1
SCHEMBL9198091 0.85 HTT (0.66) GAAMAPTKMT2AMEN1NPC1
SCHEMBL9199688 0.83 KCNK3 (0.65) MAPTKMT2ANPC1RAB9AALDH1A1
SCHEMBL9201424 0.78 LMNA (0.49) GAAMAPTKMT2AMEN1NPC1
SCHEMBL9205680 0.77 SMN1; SMN2 (0.53) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL27408754 0.77 KMT2A (0.60) F2RGAAMAPTKMT2AMEN1
SCHEMBL9204272 0.76 AKR1C3 (0.57) GAAMAPTKMT2AMEN1NPC1
SCHEMBL9200578 0.76 HPGD (0.49) GAAMAPTKMT2AMEN1NPC1

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
EP-0497816-B1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD (CA) 1995-05-17 EP claimed