SCHEMBL8997799

SCHEMBL8997799

CCOC(=O)c1ccc(Nc2nc(Nc3ccc(C(=O)OCC)cc3)nc(-c3ccc(OC)cc3)n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
THRB P10828 1/20 0.63
RAB9A P51151 1/20 0.63
PDPK1 O15530 1/20 0.58
CHRNA7 P36544 7/20 0.57
RORC P51449 1/20 0.57
POLB P06746 1/20 0.57
HTT P42858 1/20 0.56
MAPT P10636 3/20 0.54
TP53 P04637 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPC1 O15118 1/20 0.54
GBA1 P04062 1/20 0.54
BRAF P15056 1/20 0.53
KDR P35968 1/20 0.53
SLC2A1 P11166 1/20 0.53

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
SCHEMBL13658283 0.98 MEN1 (0.63) MEN1KMT2ATHRBRAB9APDPK1
SCHEMBL13299340 0.93 MEN1 (0.58) MEN1KMT2ATHRBRAB9APDPK1
SCHEMBL4544872 0.90 MEN1 (0.66) MEN1KMT2ATHRBRAB9APDPK1
SCHEMBL8997784 0.89 RORC (0.69) MEN1KMT2ACHRNA7RORCMAPT
SCHEMBL12727781 0.88 RORC (0.55) MEN1KMT2ATHRBRAB9ACHRNA7
SCHEMBL12253193 0.85 MEN1 (0.83) MEN1KMT2ATHRBRAB9APDPK1
SCHEMBL15298940 0.85 MEN1 (0.66) MEN1KMT2ATHRBRAB9APDPK1
SCHEMBL5412265 0.84 MAPT (0.67) MEN1KMT2ATHRBRAB9APOLB
SCHEMBL8997846 0.83 RORC (0.69) MEN1KMT2ACHRNA7RORCMAPT
SCHEMBL8997828 0.82 ALDH1A1 (0.51) MEN1KMT2ATHRBRAB9ACHRNA7

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-8187575-B2 Triazine derivatives as UV absorbers BASF SE Ludwigshafen (DE) 2012-05-29 US disclosed
US-8187575-B2 Triazine derivatives as UV absorbers BASF SE Ludwigshafen (DE) 2012-05-29 US disclosed