SCHEMBL9619495

SCHEMBL9619495

CSC(=CC(=O)c1ccc(C(F)(F)F)cc1)SC

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.66
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
NR4A1 P22736 1/20 0.53
NR4A2 P43354 1/20 0.53
NR4A3 Q92570 1/20 0.53
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
CYP1A1 P04798 6/20 0.50
CYP1B1 Q16678 6/20 0.50
MAOB P27338 2/20 0.49
P4HB P07237 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
SRD5A2 P31213 1/20 0.46
GSK3B P49841 2/20 0.44
AKR1C3 P42330 1/20 0.44
PTPN1 P18031 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL4043625 0.80 ALDH1A1 (0.58) MAPTMEN1KMT2ACES2MAOB
SCHEMBL6139630 0.79 MAPT (1.00) MAPTMEN1KMT2ACES2CES1
SCHEMBL10869367 0.79 NR4A1 (0.43) MAPTMEN1KMT2ANR4A1NR4A2
SCHEMBL2271850 0.79 NR4A1 (0.57) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL2271846 0.79 NR4A1 (0.57) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL13864065 0.78 NFE2L2 (0.59) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL11625967 0.78 CES2 (0.55) NR4A1NR4A2NR4A3CES2CES1
Methylsulfanylmethane SCHEMBL28763708 0.77 CES2 (0.50) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL7228800 0.77 CES2 (0.59) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL28474124 0.77 MEN1 (0.74) MAPTMEN1KMT2ASRD5A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0263958-B1 4-SUBSTITUTED-2,6-DIPHENYLPYRIDINE DERIVATIVES, USE THEREOF, PRODUCTION OF THE SAME, CHEMICAL INTERMEDIATES THEREIN AND HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-01-22 EP disclosed
US-4849011-A 4-substituted-2,6-diphenylpyridine compounds and herbicide containing the same as an active ingredient SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1989-07-18 US disclosed