SCHEMBL14746015

SCHEMBL14746015

O=C(NCCCc1ccccc1)N1c2ccccc2Sc2cccc(O)c21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 13/20 0.66
NPSR1 Q6W5P4 3/20 0.66
MAPT P10636 3/20 0.66
ALDH1A1 P00352 2/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
RAB9A P51151 1/20 0.66
ADRB3 P13945 1/20 0.54
HRH2 P25021 1/20 0.54
ADRA1D P25100 1/20 0.54
HTR2A P28223 1/20 0.54
SLC6A4 P31645 1/20 0.54
SLC6A3 Q01959 1/20 0.54
POLB P06746 1/20 0.53
GRIN1 Q05586 3/20 0.52
GRIN2A Q12879 3/20 0.52
GRIN2B Q13224 3/20 0.52

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
SCHEMBL16108721 0.88 BCHE (0.84) BCHENPSR1MAPTALDH1A1CYP1A2
SCHEMBL5815974 0.74 DRD2 (0.57) BCHESLC6A4
SCHEMBL4779900 0.72 BCHE (0.70) BCHEMAPTALDH1A1ACHEHPGD
SCHEMBL5805862 0.72 NOX1 (0.56) BCHESLC6A3ACHE
Hydrochloric Acid SCHEMBL5804919 0.71 BCHE (0.68) BCHEMAPTALDH1A1ACHEHPGD
SCHEMBL4777072 0.70 NOX1 (0.49) BCHEADRB3HTR2ASLC6A3ACHE
SCHEMBL9784948 0.68 BCHE (0.77) BCHENPSR1MAPTALDH1A1CYP1A2
SCHEMBL15775866 0.67 MEN1 (0.55) BCHEMAPTALDH1A1POLBACHE
SCHEMBL7980150 0.66 BCHE (0.74) BCHENPSR1MAPTALDH1A1CYP1A2
SCHEMBL26615281 0.66 BCHE (0.69) BCHENPSR1MAPTALDH1A1CYP1A2

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
WO-2013033520-A1 A METHOD FOR REGULATING SKIN PIGMENTATION THE GENERAL HOSPITAL CORPORATION (US) 2013-03-07 WO claimed
WO-2013033520-A1 A METHOD FOR REGULATING SKIN PIGMENTATION THE GENERAL HOSPITAL CORPORATION (US) 2013-03-07 WO disclosed