SCHEMBL9501591

SCHEMBL9501591

O=C(Cl)c1sc(Cl)nc1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 6/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
AHR P35869 1/20 0.31
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL27858664 0.83 ALDH1A1 (0.48) ALDH1A1HPGDTSHRKMT2AL3MBTL1
SCHEMBL289975 0.81 ALDH1A1 (0.63) ALDH1A1HPGDTSHRKMT2AL3MBTL1
SCHEMBL9460236 0.79 ALDH1A1 (0.45) ALDH1A1HPGDTSHRKMT2AL3MBTL1
SCHEMBL27259598 0.79 ALDH1A1 (0.50) ALDH1A1HPGDTSHRKMT2AL3MBTL1
SCHEMBL3500221 0.77 ALDH1A1 (0.70) ALDH1A1HPGDTSHRKMT2AL3MBTL1
SCHEMBL23930493 0.77 ALDH1A1 (0.48) ALDH1A1HPGDTSHRKMT2AL3MBTL1
Formaldehyde SCHEMBL28138631 0.77 ALDH1A1 (0.59) ALDH1A1HPGDTSHRKMT2AL3MBTL1
SCHEMBL14652370 0.74 ALDH1A1 (0.46) ALDH1A1HPGDTSHRKMT2AL3MBTL1
SCHEMBL1724016 0.74 ALDH1A1 (0.46) ALDH1A1HPGDTSHRKMT2AL3MBTL1
SCHEMBL5429756 0.73 ALDH1A1 (0.35) ALDH1A1HPGDTSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101977900-B 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2013-11-27 CN disclosed
CN-101977900-A 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2011-02-16 CN disclosed
EP-0316731-B1 AZO DYES FROM 2-HYDRAZINOTHIAZOLE, THEIR USE IN DYEING AND PRINTING FIBRE MATERIALS, AND IN SUBLIMATION TRANSFER PRINTING BAYER AG (DE) 1993-05-19 EP disclosed
EP-0316731-A2 Azo dyes from 2-hydrazinothiazole, their use in dyeing and printing fibre materials, and in sublimation transfer printing BAYER AG (DE) 1989-05-24 EP disclosed