SCHEMBL8228516

SCHEMBL8228516

COc1ccc2c(c1)nc(C)n2-c1cnc(NC(=O)c2cccc([N+](=O)[O-])c2C)cn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
MAPT P10636 5/20 0.46
MEN1 O00255 4/20 0.46
LMNA P02545 4/20 0.46
CYP2C9 P11712 2/20 0.46
RAB9A P51151 3/20 0.45
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 1/20 0.42
KDM4E B2RXH2 1/20 0.42
DHODH Q02127 1/20 0.42
PKM P14618 1/20 0.41
TP53 P04637 1/20 0.41
BLM P54132 1/20 0.41
GAA P10253 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
THRB P10828 1/20 0.40

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
SCHEMBL648069 0.90 KMT2A (0.43) KMT2AMAPTMEN1LMNACYP2C9
SCHEMBL8236417 0.84 RAB9A (0.51) KMT2AMAPTMEN1LMNARAB9A
SCHEMBL8234100 0.84 RAB9A (0.48) KMT2AMAPTMEN1LMNARAB9A
SCHEMBL8067234 0.84 RAB9A (0.45) KMT2AMAPTMEN1RAB9ANPC1
SCHEMBL8237123 0.81 MAPT (0.51) KMT2AMAPTMEN1LMNARAB9A
SCHEMBL8234426 0.81 RAB9A (0.45) KMT2AMAPTLMNARAB9ANPC1
SCHEMBL3103400 0.81 RAB9A (0.45) KMT2AMAPTMEN1LMNARAB9A
SCHEMBL8236747 0.80 NPC1 (0.46) KMT2AMAPTMEN1LMNARAB9A
SCHEMBL646343 0.80 RAB9A (0.49) KMT2AMAPTMEN1LMNARAB9A
SCHEMBL8238174 0.79 RAB9A (0.48) KMT2AMAPTLMNARAB9ASMN1; SMN2

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-2007109362-A2 BENZOIMIDAZOLYL-PARAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-09-27 WO disclosed