SCHEMBL7969213

SCHEMBL7969213

Cc1ccc(Cn2cncc2N(C)c2cccc(C(=O)O)c2O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 2/20 0.37
NOTUM Q6P988 1/20 0.36
CYP11B1 P15538 5/20 0.35
CYP11B2 P19099 5/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GAA P10253 1/20 0.35
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 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
SCHEMBL7973956 0.92 CYP11B1 (0.42) SMN1; SMN2NOTUMCYP11B1CYP11B2KDM4E
SCHEMBL7958185 0.91 CYP11B1 (0.39) CYP11B1CYP11B2
SCHEMBL7973955 0.86 PDE5A (0.32) SMN1; SMN2CYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL7971638 0.66 FNTA (0.47) FABP4CYP11B1CYP11B2MAPT
SCHEMBL7970889 0.66 TAAR1 (0.47)
SCHEMBL7969216 0.66 BRS3 (0.37) SMN1; SMN2TP53KDM4EALDH1A1HSD17B10
SCHEMBL10789640 0.66 CYP3A4 (0.47) SMN1; SMN2CYP11B1CYP11B2POLBMEN1
SCHEMBL729589 0.64 ALDH1A1 (0.57) SMN1; SMN2TP53KDM4EALDH1A1HSD17B10
SCHEMBL19787909 0.64 MAPT (0.60) SMN1; SMN2TP53NOTUMKDM4EALDH1A1
SCHEMBL11308650 0.63 ALDH1A1 (0.52) SMN1; SMN2TP53KDM4EALDH1A1HSD17B10

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