SCHEMBL10599201

SCHEMBL10599201

Clc1nc2ccccc2o1.O=C(O)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.46
NPC1 O15118 6/20 0.46
GAA P10253 4/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 4/20 0.44
CSNK1D P48730 1/20 0.44
SCD O00767 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 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
SCHEMBL105029 0.88 NPC1 (0.54) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL11221096 0.86 NPC1 (0.52) RAB9ANPC1GAAMEN1KMT2A
Ammonia Solution, Strong SCHEMBL28837681 0.86 NPC1 (0.52) RAB9ANPC1GAAMEN1KMT2A
Water SCHEMBL28205057 0.86 PSMB8 (0.53) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL10670777 0.86 NPC1 (0.52) RAB9ANPC1GAAMEN1KMT2A
Formic Acid SCHEMBL28868401 0.85 MAPT (0.48) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL11044195 0.84 NPC1 (0.50) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL6246047 0.81 NPC1 (0.44) RAB9ANPC1GAAMEN1KMT2A
Acetonitrile SCHEMBL5483189 0.78 PSMB8 (0.55) RAB9ANPC1GAAMEN1KMT2A
Dl-Penicillamine SCHEMBL22289549 0.77 ALDH1A1 (0.46) RAB9ANPC1GAAMEN1KMT2A

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-0213071-B1 PROCESS FOR THE PREPARATION OF FIBRE-REACTIVE AZO COMPOUNDS CIBA-GEIGY AG (CH) 1989-03-08 EP disclosed