SCHEMBL9733580

SCHEMBL9733580

Nc1cc(Cl)c(Cl)cc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.64
DHFR P00374 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
CYP1B1 Q16678 1/20 0.48
KMO O15229 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ADORA1 P30542 1/20 0.44
GAA P10253 1/20 0.42
ESR2 Q92731 1/20 0.41
IKBKB O14920 2/20 0.41
MAPK14 Q16539 1/20 0.40
NPFFR1 Q9GZQ6 1/20 0.40
NPFFR2 Q9Y5X5 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
SCHEMBL1578274 0.81 CYP3A4 (0.58) AHRDHFRNPC1RAB9ACYP3A4
SCHEMBL2502464 0.81 TSHR (0.56) AHRDHFRNPC1RAB9ACYP3A4
SCHEMBL2495842 0.81 AHR (0.52) AHRDHFRNPC1RAB9ACYP3A4
SCHEMBL29962162 0.78 AHR (0.54) AHRDHFRNPC1RAB9ACYP3A4
SCHEMBL331060 0.78 AHR (0.54) AHRDHFRNPC1RAB9ACYP3A4
SCHEMBL29366153 0.78 AHR (1.00) AHRDHFRNPC1RAB9ACYP3A4
SCHEMBL2279480 0.78 AHR (1.00) AHRDHFRNPC1RAB9ACYP3A4
SCHEMBL597055 0.78 AHR (0.48) AHRDHFRNPC1RAB9ACYP3A4
SCHEMBL2493219 0.78 AHR (0.50) AHRDHFRNPC1RAB9ACYP3A4
SCHEMBL29962749 0.78 AHR (0.48) AHRDHFRNPC1RAB9ACYP3A4

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