SCHEMBL28601272

SCHEMBL28601272

C=C(Cl)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
SRD5A2 P31213 1/20 0.47
KMO O15229 2/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 2/20 0.42
NPFFR2 Q9Y5X5 1/20 0.42
AHR P35869 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
PHGDH O43175 1/20 0.40

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
SCHEMBL8252464 0.79 KCNQ3 (0.44) TSHRMEN1NPC1MAPTRAB9A
SCHEMBL2014424 0.78 TSHR (0.52) TSHRSRD5A2HSD17B10KDM4EMEN1
SCHEMBL31599679 0.78 TSHR (0.52) TSHRSRD5A2HSD17B10KDM4EMEN1
SCHEMBL27793384 0.78 TSHR (0.57) TSHRSRD5A2KMOKDM4EMEN1
SCHEMBL29514652 0.75 TSHR (0.67) TSHRSRD5A2KMOKDM4EMEN1
SCHEMBL110094 0.75 TSHR (0.67) TSHRSRD5A2KMOKDM4EMEN1
SCHEMBL16795752 0.75 TSHR (0.48) TSHRSRD5A2KMOHSD17B10KDM4E
SCHEMBL13285771 0.74 MAPT (0.40) TSHRHSD17B10MEN1MAPTKMT2A
SCHEMBL2090891 0.73 TSHR (0.64) TSHRSRD5A2KMOKDM4EMEN1
SCHEMBL14672199 0.73 TSHR (0.42) TSHRSRD5A2KMOKDM4EMEN1

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
CN-113227175-A Polymer composition comprising a thermoplastic elastomer with butadiene and styrene blocks and a compatible plasticizer 米其林集团总公司 2021-08-06 CN claimed