SCHEMBL11060530

SCHEMBL11060530

S=C(Nc1ccc(Cl)cc1)Nc1ccc(Br)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.70
MAPT P10636 4/20 0.68
ALDH1A1 P00352 4/20 0.68
MAOA P21397 2/20 0.68
MAOB P27338 2/20 0.68
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
HTT P42858 2/20 0.66
LMNA P02545 2/20 0.66
MAPK1 P28482 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2C19 P33261 1/20 0.66
IDO1 P14902 1/20 0.62
KDM4E B2RXH2 1/20 0.62
NOX1 Q9Y5S8 1/20 0.58
GAA P10253 1/20 0.56
EPHX1 P07099 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL8956193 1.00 CNR1 (0.70) CNR1MAPTALDH1A1MAOAMAOB
SCHEMBL5455602 0.89 MAPT (0.83) MAPTALDH1A1MAOAMAOBMEN1
SCHEMBL8956372 0.89 MAPT (0.83) MAPTALDH1A1MAOAMAOBMEN1
SCHEMBL8956455 0.89 MAPT (0.75) CNR1MAPTALDH1A1MAOBMEN1
SCHEMBL5445907 0.89 MAPT (0.75) CNR1MAPTALDH1A1MAOBMEN1
SCHEMBL15840805 0.83 PPIA (0.70) CNR1MAPTALDH1A1MEN1KMT2A
Thiourea SCHEMBL1991944 0.83 MAPT (0.73) CNR1MAPTALDH1A1MAOBLMNA
SCHEMBL5081276 0.81 NOX1 (0.85) CNR1MAPTALDH1A1MAOAMAOB
SCHEMBL5137359 0.81 ALDH1A1 (1.00) CNR1MAPTALDH1A1MAOAMAOB
SCHEMBL8956349 0.81 NOX1 (0.85) CNR1MAPTALDH1A1MAOAMAOB

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
US-4461821-A Photoconductive compositions and electrophotographic photosensitive materials comprising an organic photoconductor and a thiourea compound FUJI PHOTO FILM CO., LTD. (JP) 1984-07-24 US disclosed