SCHEMBL9660922

SCHEMBL9660922

NN(C1=NCCS1)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.38
POLB P06746 2/20 0.37
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 2/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
HSD11B1 P28845 1/20 0.34
PDE2A O00408 1/20 0.33
KDM1A O60341 1/20 0.33
KMT2A Q03164 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 2/20 0.33
PDK2 Q15119 2/20 0.32
MEN1 O00255 2/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL9690115 0.90 ADRA2A (0.39) ADRA2APOLBNPC1ALDH1A1RAB9A
SCHEMBL9661541 0.83 POLB (0.38) ADRA2APOLBNPC1ALDH1A1RAB9A
SCHEMBL9658728 0.78 POLB (0.37) ADRA2APOLBNPC1ALDH1A1RAB9A
SCHEMBL9660717 0.77 NPC1 (0.44) NPC1ALDH1A1RAB9ACASP3SENP8
SCHEMBL9690026 0.75 TSHR (0.38) NPC1ALDH1A1RAB9ACASP3SENP8
SCHEMBL9689465 0.73 NOTUM (0.32) NPC1ALDH1A1RAB9AKMT2ANPSR1
SCHEMBL9658741 0.68 NPC1 (0.36) ADRA2APOLBNPC1ALDH1A1RAB9A
SCHEMBL9658738 0.68 NPC1 (0.36) ADRA2APOLBNPC1ALDH1A1RAB9A
SCHEMBL9690040 0.68 KMT2A (0.43) ADRA2APOLBNPC1ALDH1A1RAB9A
SCHEMBL9690119 0.68 ADRA2A (0.49) ADRA2APOLBNPC1ALDH1A1RAB9A

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
EP-0520274-A2 2-(-4-substituted-phenylhydrazino)-2-thiazoline and 2-(-4-substituted phenylazo)-2-thiazoline, their preparation and their use against ectoparasites BAYER AG (DE) 1992-12-30 EP disclosed