SCHEMBL7447369

SCHEMBL7447369

COc1ccc(C[C@H](Nc2nc3cc(C(C)(C)C)c(OC(N)=O)c(C)c3c(=O)o2)C(=O)NCCc2ccccn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
KMT2A Q03164 5/20 0.38
ELANE P08246 3/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 4/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2D6 P10635 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.34
CTSS P25774 1/20 0.34
REN P00797 2/20 0.34
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 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
SCHEMBL7842064 0.81 CTRB1 (0.45) RAB9AKMT2AELANEALDH1A1CTSS
SCHEMBL6506533 0.81 KMT2A (0.40) RAB9AKMT2AELANEALDH1A1HPGD
SCHEMBL6507279 0.74 ELANE (0.39) KMT2AELANEMEN1ALDH1A1HPGD
SCHEMBL6640437 0.74 CTRB1 (0.55) KMT2AELANEMEN1ALDH1A1HPGD
SCHEMBL7439886 0.71 ELANE (0.38) KMT2AELANE
SCHEMBL7448303 0.68 ELANE (0.38) RAB9AKMT2AELANEHPGDCYP2D6
SCHEMBL6803473 0.67 ELANE (0.36) ELANE
SCHEMBL6498024 0.67 ELANE (0.37) RAB9AKMT2AELANECYP2D6NPC1
SCHEMBL6532128 0.64 ELANE (0.47) ELANE
SCHEMBL6498805 0.64 ELANE (0.46) ELANE

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-1996037485-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1996-11-28 WO claimed