SCHEMBL17685371

SCHEMBL17685371

C#CSCCCCCCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
THRB P10828 2/20 0.42
DNM1 Q05193 8/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
EPHX1 P07099 1/20 0.39
CES2 O00748 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
GMNN O75496 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
BLM P54132 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL9247934 1.00
SCHEMBL9242233 1.00 TSHR (0.42) TSHRTHRBDNM1MEN1KMT2A
SCHEMBL7062919 0.89
SCHEMBL6585416 0.77
SCHEMBL3265077 0.75 TSHR (0.41) TSHRTHRBDNM1KMT2AALDH1A1
SCHEMBL3507116 0.74
SCHEMBL5586092 0.74 TSHR (0.42) TSHRTHRBDNM1ALDH1A1EPHX1
SCHEMBL9451397 0.74 TSHR (0.42) TSHRTHRBDNM1MEN1KMT2A
SCHEMBL22438694 0.74 TSHR (0.42) TSHRTHRBDNM1MEN1KMT2A
SCHEMBL2018319 0.74

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-2520640-B1 LUBRICATING OIL COMPOSITION IDEMITSU KOSAN CO (JP) 2016-04-20 EP claimed