SCHEMBL5798294

SCHEMBL5798294

O=C(c1ccccc1)n1c(=O)c(I)cn(Cc2ccccc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BRD4 O60885 3/20 0.40
BRD2 P25440 1/20 0.40
BRD3 Q15059 1/20 0.40
BRDT Q58F21 1/20 0.40
ADORA1 P30542 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.39
TP53 P04637 2/20 0.38
P2RX4 Q99571 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL3553791 0.82 KMT2A (0.41) KMT2ACYP1A2CYP2D6TSHRCYP2C19
SCHEMBL5796829 0.76 L3MBTL1 (0.52) KMT2ACYP1A2CYP2D6TSHRCYP2C19
SCHEMBL14232073 0.76 KMT2A (0.46) KMT2AL3MBTL1BRD4BRD2BRD3
SCHEMBL5798118 0.75 NOTUM (0.44) KMT2ACYP2D6BRD4BRD2BRD3
SCHEMBL15196009 0.75 KMT2A (0.41) KMT2ACYP1A2CYP2D6TSHRCYP2C19
SCHEMBL14369799 0.70 TMEM97 (0.39) KMT2AALDH1A1KDM4EPKMTP53
SCHEMBL29809329 0.68 ALDH1A1 (0.55) KMT2ACYP1A2CYP2D6CYP2C19LMNA
SCHEMBL28803097 0.68 ALDH1A1 (0.55) KMT2ACYP1A2CYP2D6CYP2C19LMNA
SCHEMBL11792243 0.67 P2RX4 (0.59) KMT2ACYP1A2TSHRCYP2C19L3MBTL1
SCHEMBL2745392 0.67 TYMP (0.45) KMT2ACYP1A2CYP2C19ALDH1A1P2RX4

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-2006070292-A2 PYRIMIDINE COMPOUNDS AS ANTI-ICTOGENIC AND/OR ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (US) 2006-07-06 WO disclosed