SCHEMBL10836725

SCHEMBL10836725

O=C(CBr)N1C(=O)CCc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.58
MITF O75030 1/20 0.58
RAB9A P51151 1/20 0.58
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HPGD P15428 1/20 0.50
POLB P06746 2/20 0.47
GAA P10253 1/20 0.47
ADRB2 P07550 1/20 0.47
TP53 P04637 1/20 0.47
NOTUM Q6P988 1/20 0.46

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
SCHEMBL8254909 0.91 NPC1 (0.69) NPC1MITFRAB9AALDH1A1KDM4E
SCHEMBL6195455 0.83 NPC1 (0.84) NPC1MITFRAB9AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6197508 0.82 NPC1 (0.57) NPC1MITFRAB9AALDH1A1KDM4E
SCHEMBL30600284 0.81 MEN1 (0.54) NPC1MITFRAB9AALDH1A1KDM4E
SCHEMBL8733182 0.81 MEN1 (0.54) NPC1MITFRAB9AALDH1A1KDM4E
SCHEMBL6199079 0.79 NOTUM (0.72) NPC1MITFRAB9AALDH1A1KDM4E
Benzene SCHEMBL10464328 0.78 NOTUM (0.70) NPC1MITFRAB9AALDH1A1KDM4E
SCHEMBL1546073 0.76 TSHR (0.77) NPC1RAB9AALDH1A1CYP3A4MEN1
SCHEMBL17765508 0.75 MEN1 (0.53) NPC1MITFRAB9AALDH1A1KDM4E
SCHEMBL7981939 0.75 ALDH1A1 (0.67) NPC1MITFRAB9AALDH1A1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4619932-A CENTRAL NERVOUS SYSTEM CONTROLLERS; ANTI-SCHIZOPHRENIA AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-10-28 US disclosed
US-4567187-A CENTRAL NERVOUS SYSTEM OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-01-28 US disclosed
US-4460593-A Carbostyril derivatives, and central nervous system controlling agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-07-17 US disclosed
US-4455422-A ANTIHISTAMINES, CNS CONTROLLERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-19 US disclosed