SCHEMBL28636581

SCHEMBL28636581

CC(=O)c1cc(Cl)sc1Br

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
HPGD P15428 2/20 0.47
DAO P14920 1/20 0.45
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GSK3B P49841 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 2/20 0.37
KMT2A Q03164 1/20 0.37
MAOB P27338 3/20 0.36
MAOA P21397 2/20 0.36
ALDH1A1 P00352 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL11880888 0.84 RAB9A (0.49) RAB9AMAPTSMN1; SMN2NPC1HPGD
SCHEMBL15854066 0.79 F2 (0.47) RAB9AMAPTSMN1; SMN2NPC1DAO
SCHEMBL542159 0.78 DAO (0.65) RAB9AMAPTSMN1; SMN2NPC1HPGD
SCHEMBL27417891 0.78 SMN1; SMN2 (0.37) RAB9AMAPTSMN1; SMN2NPC1HPGD
SCHEMBL23151886 0.77 MAPT (0.47) RAB9AMAPTSMN1; SMN2NPC1HPGD
SCHEMBL9407745 0.75 RAB9A (0.46) RAB9AMAPTSMN1; SMN2NPC1HPGD
SCHEMBL31139879 0.75 MAPT (0.46) RAB9AMAPTSMN1; SMN2NPC1HPGD
SCHEMBL7849664 0.72 RAB9A (0.44) RAB9AMAPTSMN1; SMN2NPC1HPGD
SCHEMBL8709952 0.71 RAB9A (0.39) RAB9AMAPTSMN1; SMN2NPC1HPGD
SCHEMBL2631260 0.71 KMT2A (0.48) RAB9AMAPTSMN1; SMN2NPC1HPGD

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-113402556-A Compound and application thereof 北京鼎材科技有限公司 2021-09-17 CN disclosed