SCHEMBL8004963

SCHEMBL8004963

O=[C]c1c(F)ccc(-c2ccc([N+](=O)[O-])cc2)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HIF1A Q16665 1/20 0.41
APP P05067 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
HSPB1 P04792 1/20 0.37
RORC P51449 2/20 0.36
MAPT P10636 3/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GYS1 P13807 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL285844 0.73 TDP1 (0.46) ALDH1A1HIF1AMEN1KMT2ACYP3A4
SCHEMBL11691049 0.69 ALDH1A1 (0.51) ALDH1A1HIF1AAPPMEN1KMT2A
SCHEMBL420859 0.69 IKBKB (0.41) ALDH1A1APPMEN1KMT2ACYP1A2
SCHEMBL31219322 0.68 ALDH1A1 (0.55) ALDH1A1HIF1AAPPMEN1KMT2A
SCHEMBL8202301 0.67 ALDH1A1 (0.47) ALDH1A1APPMEN1KMT2ACA12
SCHEMBL7432122 0.67 PTPRC (0.47) ALDH1A1APPMEN1KMT2ACYP1A2
SCHEMBL20220262 0.67 CA1 (0.45) APPMEN1KMT2ACA12CA1
SCHEMBL8994176 0.67 CES2 (0.37)
SCHEMBL1513142 0.66 APP (0.50) ALDH1A1HIF1AAPPCA12CA1
SCHEMBL28198 0.66 CA1 (0.67) ALDH1A1APPCA12CA1CA2

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-6048863-A SEXUAL DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-04-11 US disclosed
US-5817819-A GONADOTROPIN-RELEASING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-06 US disclosed