SCHEMBL7706764

SCHEMBL7706764

C=C(S)c1nc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.56
RECQL P46063 1/20 0.56
ALDH1A1 P00352 4/20 0.53
RAB9A P51151 7/20 0.50
NPC1 O15118 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
MEN1 O00255 5/20 0.50
MAPT P10636 5/20 0.50
KMT2A Q03164 5/20 0.50
LMNA P02545 4/20 0.50
HPGD P15428 3/20 0.50
ALOX15 P16050 2/20 0.50
MAPK1 P28482 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
ADRA2A P08913 1/20 0.50
FBP1 P09467 1/20 0.50

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
SCHEMBL28487128 0.82 ALDH1A1 (0.55) THRBRECQLALDH1A1RAB9ANPC1
SCHEMBL12545749 0.81 RECQL (0.65) THRBRECQLALDH1A1RAB9ANPC1
SCHEMBL7706757 0.81 THRB (0.56) THRBRECQLALDH1A1RAB9ANPC1
SCHEMBL9360112 0.81 ALDH1A1 (0.62) THRBRECQLALDH1A1RAB9ANPC1
SCHEMBL17153866 0.81 RAB9A (0.58) THRBRECQLALDH1A1RAB9ANPC1
SCHEMBL14637286 0.79 ALDH1A1 (0.60) THRBRECQLALDH1A1RAB9ANPC1
SCHEMBL12545717 0.78 RAB9A (0.55) THRBRECQLALDH1A1RAB9ANPC1
SCHEMBL14845420 0.78 THRB (0.53) THRBRECQLALDH1A1RAB9ANPC1
SCHEMBL31544600 0.77 RECQL (0.69) THRBRECQLALDH1A1RAB9ANPC1
SCHEMBL6319718 0.76 ALDH1A1 (0.66) THRBRECQLALDH1A1RAB9ANPC1

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
US-6362138-B1 WEAR AND OXIDATION RESISTANCE; FOR INTERNAL COMBUSTION ENGINES CIBA SPECIALTY CHEMICALS CORPORATION 2002-03-26 US disclosed
US-6150307-A Heterocyclic thioethers as additives for lubricants CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-11-21 US disclosed