SCHEMBL9746397

SCHEMBL9746397

ClC([SnH3])(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
CYP1A2 P05177 2/20 0.46
KCNN4 O15554 5/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.38
TAAR1 Q96RJ0 1/20 0.35
ALOX15 P16050 1/20 0.35
PTPN1 P18031 1/20 0.33
ESR1 P03372 1/20 0.33
CYP3A4 P08684 1/20 0.33
ESR2 Q92731 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL522316 0.73 TSHR (1.00) TSHRCYP1A2KCNN4ALDH1A1MAPK1
SCHEMBL151981 0.73 TSHR (0.65) TSHRCYP1A2KCNN4ALDH1A1MAPK1
SCHEMBL10940043 0.73 TSHR (0.65) TSHRCYP1A2KCNN4ALDH1A1MAPK1
SCHEMBL819164 0.73 TSHR (0.65) TSHRCYP1A2KCNN4ALDH1A1MAPK1
Chlorotriphenylmethane SCHEMBL16781670 0.73 TSHR (0.65) TSHRCYP1A2KCNN4ALDH1A1MAPK1
Chlorotriphenylmethane SCHEMBL461 0.73 TSHR (0.65) TSHRCYP1A2KCNN4ALDH1A1MAPK1
Chlorotriphenylmethane SCHEMBL7246540 0.71 TSHR (0.61) TSHRCYP1A2KCNN4ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL15864874 0.71 TSHR (0.61) TSHRCYP1A2KCNN4ALDH1A1MAPK1
Chlorotriphenylmethane SCHEMBL7567317 0.71 TSHR (0.61) TSHRCYP1A2KCNN4ALDH1A1MAPK1
SCHEMBL21831068 0.71 TSHR (0.61) TSHRCYP1A2KCNN4ALDH1A1MAPK1

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-5100762-A Radiation-sensitive polymer and radiation-sensitive composition containing the same MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1992-03-31 US disclosed