SCHEMBL30792144

SCHEMBL30792144

Cc1ccc([N+](=O)[O-])c(N)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.47
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 4/20 0.47
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.40
AR P10275 1/20 0.40
TDP1 Q9NUW8 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL29189985 0.82 ALDH1A1 (0.50) TSHRALDH1A1CYP3A4ARTDP1
SCHEMBL27903845 0.81 HSD17B10 (0.41) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL28179841 0.81 TSHR (0.50) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL30153092 0.81 ALDH1A1 (0.45) TSHRALDH1A1CYP3A4ARTDP1
SCHEMBL27963143 0.79 TSHR (0.47) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL30152516 0.79 ALDH1A1 (0.47) TSHRALDH1A1CYP3A4ARTDP1
SCHEMBL30152985 0.79 TDP1 (0.45) ALDH1A1CYP3A4HSD17B10ARTDP1
SCHEMBL2056614 0.77 TSHR (0.57) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL27601632 0.77 AR (0.43) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL27438856 0.77 ALDH1A1 (0.49) TSHRALDH1A1CYP3A4RECQLHSD17B10

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
CN-117858865-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 CN disclosed