SCHEMBL9300840

SCHEMBL9300840

CNCc1ccc(Br)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP3A4 P08684 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
NOS1 P29475 5/20 0.37
NOS3 P29474 3/20 0.37

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
SCHEMBL31672808 1.00 HTR7 (0.42) HTR7LOXL2MAPTKDM4ECYP3A4
SCHEMBL6915880 0.83 HTR7 (0.46) HTR7LOXL2MAPTKDM4ECYP3A4
SCHEMBL5398528 0.83 LOXL2 (0.43) HTR7LOXL2MAPTKDM4ECYP3A4
SCHEMBL19575631 0.82 KMT2A (0.38) MAPTKDM4ECYP3A4MEN1KMT2A
SCHEMBL13555140 0.81 KMT2A (0.36) LOXL2MAPTKDM4ECYP3A4MEN1
Hydrochloric Acid SCHEMBL5385071 0.81 MAPT (0.46) HTR7LOXL2MAPTKDM4ECYP3A4
SCHEMBL1253514 0.80 HTR7 (0.50) HTR7LOXL2MAPTKDM4ECYP3A4
SCHEMBL17450417 0.79 SKP2 (0.53) HTR7LOXL2MAPTKDM4ECYP3A4
SCHEMBL17176781 0.78 LOXL2 (0.39) HTR7LOXL2MAPTKDM4ECYP3A4
SCHEMBL2518817 0.78 SLC6A4 (0.47) HTR7LOXL2MAPTKDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5356893-A Antidepressants, nervous system disorders GLAXO GROUP LIMITED (GB) 1994-10-18 US disclosed
EP-0533266-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 EP disclosed