SCHEMBL9003552

SCHEMBL9003552

SC(c1ccccc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
KIF11 P52732 3/20 0.47
CYP1A2 P05177 1/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
BCL2 P10415 1/20 0.41
LMNA P02545 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP19A1 P11511 5/20 0.39
MIF P14174 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ORAI1 Q96D31 1/20 0.38
ORAI2 Q96SN7 1/20 0.38
ORAI3 Q9BRQ5 1/20 0.38
TRPV6 Q9H1D0 1/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL6075167 1.00 TSHR (0.48) TSHRKIF11CYP1A2MEN1KMT2A
Triphenylmethanethiol SCHEMBL34008 0.84 KCNN4 (0.47) TSHRCYP1A2MAPK1
Triphenylmethanethiol SCHEMBL31657729 0.81 KCNN4 (0.45) TSHRKIF11CYP1A2MAPK1
Triphenylmethanethiol SCHEMBL31657730 0.81 KCNN4 (0.45) TSHRKIF11CYP1A2MAPK1
Triphenylmethanethiol SCHEMBL28672638 0.81 KCNN4 (0.45) TSHRKIF11CYP1A2MAPK1
Triphenylmethanethiol SCHEMBL31574007 0.81 KCNN4 (0.45) TSHRCYP1A2MAPK1
Triphenylmethanethiol SCHEMBL9653097 0.81 KCNN4 (0.45) TSHRCYP1A2MAPK1
SCHEMBL8157070 0.79 TSHR (0.53) TSHRKIF11CYP1A2MEN1KMT2A
SCHEMBL3949150 0.79 TSHR (0.53) TSHRKIF11CYP1A2MEN1KMT2A
SCHEMBL11511851 0.77 TSHR (0.61) TSHRKIF11CYP1A2MEN1KMT2A

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
US-5500453-A INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS TOYO INK MANUFACTURING CO., LTD. (JP) 1996-03-19 US disclosed