SCHEMBL28293216

SCHEMBL28293216

O=[N+]([O-])c1cccc(Cc2ccc(F)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
GAA P10253 1/20 0.52
LMNA P02545 1/20 0.52
THRA P10827 1/20 0.50
MAPT P10636 2/20 0.47
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL10651848 0.88 TSHR (0.62) TSHRLMNATHRAMAPTPOLB
SCHEMBL10918542 0.88 TSHR (0.71) TSHRGAALMNATHRAMAPT
SCHEMBL20495254 0.87 TSHR (0.57) TSHRGAALMNAMAPTPOLB
SCHEMBL29864638 0.86 TSHR (0.65) TSHRLMNATHRAMAPTCYP19A1
SCHEMBL5250015 0.86 TSHR (0.65) TSHRLMNATHRAMAPTCYP19A1
SCHEMBL24622615 0.83 ALDH1A1 (0.58) TSHRLMNATHRAMAPTPOLB
SCHEMBL29768852 0.83 ALDH1A1 (0.58) TSHRLMNATHRAMAPTPOLB
SCHEMBL1644518 0.82 POLB (0.63) TSHRLMNAMAPTPOLBL3MBTL1
SCHEMBL11190287 0.82 TSHR (0.56) TSHRLMNATHRACYP19A1CYP1A2
SCHEMBL3791727 0.81 PELI1 (0.52) TSHRGAATHRAMAPTL3MBTL1

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-109641836-A Fluorinated 2- amino -4- (substituted amino) carbanilate derivative 赛弗卢尔生命科学公司 2019-04-16 CN disclosed