SCHEMBL9732124

SCHEMBL9732124

Nc1ccc(Cl)cc1-c1cc(Cl)ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.58
CYP3A4 P08684 4/20 0.58
TP53 P04637 2/20 0.58
ALDH1A1 P00352 3/20 0.54
ALOX15 P16050 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
HTR2B P41595 1/20 0.53
PDE4D Q08499 1/20 0.53
IDO1 P14902 5/20 0.47
RECQL P46063 1/20 0.44
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.41
PTPN11 Q06124 1/20 0.41
AGPAT2 O15120 1/20 0.41

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
SCHEMBL29010805 0.92 TSHR (0.50) TSHRCYP3A4TP53ALDH1A1ALOX15
SCHEMBL11517368 0.90 TSHR (0.65) TSHRCYP3A4TP53ALDH1A1ALOX15
SCHEMBL30839728 0.90 TSHR (0.65) TSHRCYP3A4TP53ALDH1A1ALOX15
SCHEMBL398356 0.85 ALDH1A1 (0.54) TSHRCYP3A4TP53ALDH1A1ALOX15
SCHEMBL440944 0.84 TP53 (0.61) TSHRCYP3A4TP53ALDH1A1TDP1
SCHEMBL29364307 0.84 TP53 (0.61) TSHRCYP3A4TP53ALDH1A1TDP1
SCHEMBL2495842 0.79 AHR (0.52) TSHRCYP3A4TP53ALDH1A1ALOX15
SCHEMBL14907071 0.78 TSHR (0.56) TSHRCYP3A4TP53ALDH1A1ALOX15
SCHEMBL30839733 0.77 TSHR (0.48) TSHRCYP3A4TP53ALDH1A1ALOX15
SCHEMBL27185998 0.77 TSHR (0.48) TSHRCYP3A4TP53ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145790-A Immunoassay, fluorescein derivative ABBOTT LABORATORIES (US) 1992-09-08 US disclosed
EP-0455058-A2 Reagents and method for detecting polychlorinated biphenyls ABBOTT LABORATORIES (US) 1991-11-06 EP disclosed