SCHEMBL81146

SCHEMBL81146

Cc1cc(C(F)(F)F)c(S)c(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CA2 P00918 1/20 0.37
TYR P14679 1/20 0.37
AR P10275 5/20 0.35
RAPGEF4 Q8WZA2 2/20 0.34
TSHR P16473 2/20 0.33
SYK P43405 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL79893 0.86 CYP11B1 (0.33) SMN1; SMN2POLBALDH1A1CA2TYR
SCHEMBL11067019 0.78 SMN1; SMN2 (0.37) SMN1; SMN2POLBALDH1A1CA2TYR
SCHEMBL91657 0.78 SMN1; SMN2 (0.40) SMN1; SMN2POLBALDH1A1CA2TYR
SCHEMBL18272233 0.78 SMN1; SMN2 (0.40) SMN1; SMN2POLBALDH1A1CA2TYR
SCHEMBL7657209 0.76 SMN1; SMN2 (0.39) SMN1; SMN2POLBALDH1A1CA2TYR
SCHEMBL4446393 0.76 ALDH1A1 (0.56) SMN1; SMN2POLBALDH1A1CA2TYR
SCHEMBL3191283 0.76 CES2 (0.40) POLBALDH1A1ARTSHRCYP3A4
SCHEMBL80373 0.75 SMN1; SMN2 (0.42) SMN1; SMN2ARSYKCYP1A2FFAR4
SCHEMBL6023992 0.74 SMN1; SMN2 (0.37) SMN1; SMN2POLBALDH1A1CA2TYR
SCHEMBL14885993 0.74 SMN1; SMN2 (0.37) SMN1; SMN2POLBALDH1A1CA2TYR

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-3620460-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2023-08-16 EP disclosed
US-8129002-B2 Compounds for use in liquid crystal media MERCK PATENT GMBH (DE) 2012-03-06 US disclosed