SCHEMBL7702876

SCHEMBL7702876

[CH](c1ccc(Sc2ccccc2)cc1)c1ccc(Sc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.48
MAOB P27338 3/20 0.48
HPGD P15428 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MGLL Q99685 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SLC6A4 P31645 1/20 0.41
CHRNA7 P36544 1/20 0.38
MAPK1 P28482 2/20 0.38
NR1H2 P55055 1/20 0.38
KDR P35968 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
BCL2 P10415 1/20 0.37
MCL1 Q07820 1/20 0.37
HTR2C P28335 1/20 0.36
HTR6 P50406 1/20 0.36
MMP3 P08254 1/20 0.36

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
SCHEMBL3891569 0.83 MAOA (0.62) MAOAMAOBHPGDALDH1A1MAPT
SCHEMBL23277364 0.83 MAOA (0.62) MAOAMAOBHPGDALDH1A1MAPT
SCHEMBL795030 0.83 MAOA (0.62) MAOAMAOBHPGDALDH1A1MAPT
SCHEMBL3891151 0.83 MAOA (0.62) MAOAMAOBHPGDALDH1A1MAPT
SCHEMBL195786 0.80 MAOA (0.45) MAOAMAOBHPGDALDH1A1MAPT
SCHEMBL17734075 0.80 MAOA (0.45) MAOAMAOBHPGDALDH1A1MAPT
SCHEMBL16709768 0.80 ALDH1A1 (0.59) MAOAMAOBHPGDALDH1A1MAPT
SCHEMBL942072 0.80 ALDH1A1 (0.59) MAOAMAOBHPGDALDH1A1MAPT
SCHEMBL195828 0.80 ALDH1A1 (0.59) MAOAMAOBHPGDALDH1A1HSD17B10
Diphenylsulfane SCHEMBL452 0.80 HPGD (0.60) MAOAMAOBHPGDALDH1A1MAPT

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-6358665-B1 ONIUM SALT PRECURSOR FOR GENERATING FLUOROALKYLSULFONATE CLARIANT INTERNATIONAL LTD. (CH) 2002-03-19 US disclosed
EP-1033624-A1 RADIATION-SENSITIVE COMPOSITION OF CHEMICAL AMPLIFICATION TYPE Clariant International Ltd. (CH) 2000-09-06 EP disclosed