SCHEMBL7346708

SCHEMBL7346708

CCN(CCOCc1ccccc1)CCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.57
MAPK1 P28482 4/20 0.57
CYP1A2 P05177 3/20 0.57
ABCB1 P08183 3/20 0.57
HTR1A P08908 3/20 0.57
ADRA2A P08913 3/20 0.57
ADORA3 P0DMS8 3/20 0.57
CYP2D6 P10635 3/20 0.57
CHRM1 P11229 3/20 0.57
DRD1 P21728 3/20 0.57
SLC6A2 P23975 3/20 0.57
SLC6A4 P31645 3/20 0.57
ADRA1A P35348 3/20 0.57
DRD3 P35462 3/20 0.57
THPO P40225 3/20 0.57
MTOR P42345 3/20 0.57
SLC6A3 Q01959 3/20 0.57
KCNH2 Q12809 3/20 0.57
NPC1 O15118 2/20 0.57
TSHR P16473 2/20 0.57

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
SCHEMBL13305160 0.86 TP53 (0.71) TP53MAPK1CYP1A2ABCB1HTR1A
SCHEMBL7348765 0.83 FPR2 (0.77) TP53MAPK1CYP1A2ABCB1HTR1A
SCHEMBL13305285 0.80 TP53 (0.79) TP53MAPK1CYP1A2ABCB1HTR1A
SCHEMBL7346717 0.78 TP53 (0.50) TP53MAPK1CYP1A2ABCB1HTR1A
SCHEMBL7346761 0.77 TP53 (0.86) TP53MAPK1CYP1A2ABCB1HTR1A
SCHEMBL23353456 0.76 FPR2 (0.77) TP53MAPK1CYP1A2ABCB1HTR1A
SCHEMBL24224669 0.76 TP53 (0.71) TP53MAPK1CYP1A2ABCB1HTR1A
SCHEMBL23353458 0.74 FPR2 (0.77) TP53MAPK1CYP1A2ABCB1HTR1A
SCHEMBL14291949 0.73 HDAC6 (0.71) TP53MAPK1CYP1A2ABCB1HTR1A
SCHEMBL21445198 0.73 TP53 (0.67) TP53MAPK1CYP1A2ABCB1HTR1A

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-4833138-A Phenothiazinealkaneamines for treatment of neurotoxic injury WASHINGTON UNIVERSITY (US) 1989-05-23 US disclosed