SCHEMBL9849025

SCHEMBL9849025

Clc1ccc(-c2csc(CBr)n2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 2/20 0.51
NPC1 O15118 1/20 0.51
CRHBP P24387 1/20 0.51
RAB9A P51151 1/20 0.51
CRHR2 Q13324 1/20 0.51
HPSE Q9Y251 1/20 0.51
AR P10275 1/20 0.49
AMY1A P0DUB6 1/20 0.49
MAPT P10636 4/20 0.47
MAOB P27338 4/20 0.47
MAOA P21397 3/20 0.47
C1S P09871 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 1/20 0.45
PPARG P37231 1/20 0.45
NCOA2 Q15596 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45

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
SCHEMBL15060595 0.84 MAPT (0.53) SMN1; SMN2KDM4ENPC1CRHBPRAB9A
SCHEMBL203816 0.81 CYP19A1 (0.56) SMN1; SMN2KDM4ENPC1RAB9AMAPT
SCHEMBL13017080 0.81 HPSE (0.48) SMN1; SMN2KDM4ENPC1CRHBPRAB9A
SCHEMBL3772613 0.80 AR (0.54) SMN1; SMN2KDM4ENPC1CRHBPRAB9A
SCHEMBL202654 0.77 MEN1 (0.60) SMN1; SMN2KDM4ENPC1RAB9AMAPT
SCHEMBL29519297 0.77 AMY1A (0.61) SMN1; SMN2KDM4ENPC1CRHBPRAB9A
SCHEMBL129994 0.77 AMY1A (0.61) SMN1; SMN2KDM4ENPC1CRHBPRAB9A
SCHEMBL14378910 0.76 KDM4E (0.75) SMN1; SMN2KDM4ENPC1CRHBPRAB9A
Bromide SCHEMBL8355183 0.76 AMY1A (0.59) SMN1; SMN2KDM4ENPC1CRHBPRAB9A
SCHEMBL8698255 0.76 MAPT (0.53) SMN1; SMN2KDM4ENPC1CRHBPRAB9A

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-0411718-A2 Thiazole derivatives, their preparation and their use as fungicides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-02-06 EP disclosed