SCHEMBL7467371

SCHEMBL7467371

COc1ccc(CN2CCC(Nc3ncnc4cc(N5CCNCC5)c([N+](=O)[O-])cc34)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CNR1 P21554 5/20 0.45
DNMT3A Q9Y6K1 3/20 0.43
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CNR2 P34972 2/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40
EHMT2 Q96KQ7 1/20 0.40
IRAK4 Q9NWZ3 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
SCHEMBL7458931 0.90 NSD2 (0.56) NSD2MEN1KMT2ACNR1MAPT
SCHEMBL7458947 0.86 CCR6 (0.46) CNR1KDM4ELMNACYP1A2CYP3A4
SCHEMBL7462115 0.84 PAK1 (0.58)
SCHEMBL7459198 0.84 MEN1 (0.53) MEN1KMT2AHTTKDM4ELMNA
SCHEMBL7462111 0.84 CYP1A2 (0.40) NSD2CNR1MAPTHTTKDM4E
SCHEMBL7471138 0.82 MAPT (0.45) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL7463395 0.77 HTT (0.55) MEN1KMT2AMAPTHTTLMNA
SCHEMBL7463150 0.77 CYP1A2 (0.41) MEN1KMT2ACNR1MAPTHTT
SCHEMBL7463135 0.76 CNR1 (0.53) CNR1MAPTKDM4ELMNAMAPK1
SCHEMBL7470513 0.76 CNR1 (0.53) KMT2ACNR1MAPTHTTLMNA

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
EP-1229025-A1 NOVEL QUINAZOLINE DERIVATIVES Japan Energy Corporation (JP) 2002-08-07 EP disclosed