SCHEMBL14682732

SCHEMBL14682732

CSc1ccc2c(c1)N(CCC1CCCCN1C)C1C=CC=CC1S2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 6/20 0.56
▸ PIM1 P11309 5/20 0.56
▸ HTR1A P08908 4/20 0.56
▸ DRD1 P21728 4/20 0.56
▸ HTR2A P28223 4/20 0.56
▸ HTR7 P34969 4/20 0.56
▸ DRD3 P35462 4/20 0.56
▸ HTR6 P50406 4/20 0.56
▸ ADRA2A P08913 4/20 0.56
▸ TDP1 Q9NUW8 3/20 0.56
▸ CYP1A2 P05177 3/20 0.56
▸ CYP2D6 P10635 3/20 0.56
▸ MAPT P10636 3/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ TP53 P04637 2/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ ALOX15 P16050 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ CHRM2 P08172 2/20 0.56

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
SCHEMBL20785603 0.77 DRD2 (0.54) DRD2PIM1HTR1ADRD1HTR2A
SCHEMBL27056167 0.74 ADRA2A (0.43) DRD2PIM1HTR1ADRD1HTR2A
SCHEMBL15362395 0.74 PIM1 (0.48) DRD2PIM1HTR1ADRD1HTR2A
SCHEMBL20786073 0.72 DRD2 (0.63) DRD2PIM1HTR1ADRD1HTR2A
Thioridazine SCHEMBL29384252 0.71 PIM1 (1.00) DRD2PIM1HTR1ADRD1HTR2A
Thioridazine SCHEMBL380206 0.71 PIM1 (1.00) DRD2PIM1HTR1ADRD1HTR2A
Thioridazine SCHEMBL2577719 0.71 PIM1 (1.00) DRD2PIM1HTR1ADRD1HTR2A
Thioridazine SCHEMBL12434241 0.71 PIM1 (1.00) DRD2PIM1HTR1ADRD1HTR2A
Thioridazine SCHEMBL9566 0.71 PIM1 (1.00) DRD2PIM1HTR1ADRD1HTR2A
Thioridazine SCHEMBL41430 0.71 TDP1 (1.00) DRD2PIM1HTR1ADRD1HTR2A

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
WO-2013017637-A1 SELECTIVE INHIBITION OF MALT1 PROTEASE BY PHENOTHIAZINE DERIVATIVES Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2013-02-07 — — WO disclosed
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