SCHEMBL8999894

SCHEMBL8999894

O=[N+]([O-])c1cc(Cl)cc(CF)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 3/20 0.42
CYP19A1 P11511 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.38
GPR35 Q9HC97 1/20 0.38
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
HIF1A Q16665 1/20 0.36
S1PR4 O95977 1/20 0.35

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
SCHEMBL27274748 0.86 CYP19A1 (0.54) ALDH1A1TDP1TSHRCYP19A1CYP1A2
SCHEMBL11693112 0.86 CYP19A1 (0.48) ALDH1A1TDP1TSHRCYP19A1CYP1A2
SCHEMBL29796201 0.82 TSHR (0.56) ALDH1A1TDP1TSHRCYP19A1CYP1A2
SCHEMBL14784786 0.82 TSHR (0.56) ALDH1A1TDP1TSHRCYP19A1CYP1A2
SCHEMBL31366655 0.81 ALDH1A1 (0.46) ALDH1A1TDP1TSHRCYP19A1CYP1A2
SCHEMBL4926495 0.81 ALDH1A1 (0.46) ALDH1A1TDP1TSHRCYP19A1CYP1A2
SCHEMBL3912806 0.81 ALDH1A1 (0.46) ALDH1A1TDP1TSHRCYP19A1CYP1A2
SCHEMBL30313059 0.81 LOXL2 (0.52) ALDH1A1TDP1TSHRCYP19A1CYP1A2
SCHEMBL9499200 0.81 HTT (0.48) ALDH1A1TDP1TSHRCYP19A1CYP1A2
SCHEMBL1943699 0.79 CYP19A1 (0.62) ALDH1A1TDP1TSHRCYP19A1HSD17B10

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-5578697-A DIELECTRIC POLYMERS FOR ELECTRONICS KABUSHIKI KAISHA TOSHIBA (JP) 1996-11-26 US disclosed