SCHEMBL7973956

SCHEMBL7973956

CN(c1cccc(C(=O)O)c1O)c1cncn1Cc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.42
CYP11B2 P19099 4/20 0.42
PDE5A O76074 2/20 0.37
PDE1A P54750 2/20 0.37
PDE1B Q01064 2/20 0.37
PDE4D Q08499 2/20 0.37
PDE7A Q13946 2/20 0.37
PDE1C Q14123 2/20 0.37
PDE3A Q14432 2/20 0.37
VEGFA P15692 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
LTC4S Q16873 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL7969213 0.92 FABP4 (0.37) CYP11B1CYP11B2ALDH1A1SMN1; SMN2HTT
SCHEMBL7958185 0.91 CYP11B1 (0.39) CYP11B1CYP11B2FNTAFNTBKDM4C
SCHEMBL7973955 0.86 PDE5A (0.32) CYP11B1CYP11B2PDE5APDE1APDE1B
SCHEMBL7973958 0.66 LMNA (0.38) LMNAMAPTKDM5AKDM4CKDM5B
SCHEMBL7971080 0.66 TAAR1 (0.47)
SCHEMBL7971101 0.65 FNTA (0.48) CYP11B1CYP11B2FNTAFNTB
SCHEMBL729589 0.64 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPTKDM4EHPGD
SCHEMBL6190327 0.64 CNR2 (0.50) ALDH1A1HTTLMNAMAPTNOTUM
SCHEMBL10794690 0.64 CYP11B1 (0.57) CYP11B1CYP11B2VEGFAEGLN1ALDH1A1
SCHEMBL11308650 0.63 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HTTLMNAKDM4E

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
WO-2001009127-A1 BENZOXAZINE DERIVATIVES AND THEIR THERAPEUTIC USE AVENTIS PHARMA S.A. (FR) 2001-02-08 WO disclosed