SCHEMBL3445944

SCHEMBL3445944

Clc1cc(Cl)c(C(Br)(Br)Br)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TSHR P16473 8/20 0.43
CYP3A4 P08684 7/20 0.43
HSD17B10 Q99714 5/20 0.43
RECQL P46063 3/20 0.43
HPGD P15428 3/20 0.38
AHR P35869 2/20 0.38
TP53 P04637 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPK1 P28482 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 2/20 0.33
ALOX12 P18054 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
SLC22A2 O15244 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
SCHEMBL11114149 0.75 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4HSD17B10RECQL
SCHEMBL9628331 0.73 ALDH1A1 (0.45) ALDH1A1TSHRCYP3A4HSD17B10RECQL
SCHEMBL12251273 0.73 ALDH1A1 (0.45) ALDH1A1TSHRCYP3A4HSD17B10RECQL
SCHEMBL7779210 0.73 TSHR (0.42) ALDH1A1TSHRCYP3A4HSD17B10RECQL
SCHEMBL10932327 0.71 TSHR (0.38) ALDH1A1TSHRCYP3A4HSD17B10RECQL
SCHEMBL18377967 0.69 ALDH1A1 (0.41) ALDH1A1TSHRCYP3A4HSD17B10RECQL
SCHEMBL2937097 0.68 TSHR (0.67) ALDH1A1TSHRCYP3A4HSD17B10RECQL
SCHEMBL450499 0.67 ALDH1A1 (0.53) ALDH1A1TSHRCYP3A4HSD17B10RECQL
SCHEMBL25291034 0.66 TSHR (0.46) ALDH1A1TSHRCYP3A4HSD17B10RECQL
SCHEMBL22043099 0.66 ALDH1A1 (0.38) ALDH1A1TSHRCYP3A4HSD17B10RECQL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816679-B2 Organic compound crystal and field-effect transistor SONY CORPORATION (JP) 2010-10-19 US disclosed
US-20090072227-A1 ORGANIC COMPOUND CRYSTAL AND FIELD-EFFECT TRANSISTOR UGAWA AKITO 2009-03-19 US disclosed
US-7425722-B2 Organic compound crystal and field-effect transistor SONY CORPORATION (JP) 2008-09-16 US disclosed
US-20050285156-A1 Organic compound crystal and field-effect transistor SONY CORPORATION (JP) 2005-12-29 US disclosed