SCHEMBL30197751

SCHEMBL30197751

COc1cc2c(NCCNc3cccc4ccccc34)nc(N3CCN(c4ccccc4)CC3)nc2cc1OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 6/20 0.64
KDM1A O60341 2/20 0.64
RCOR1 Q9UKL0 2/20 0.64
DNMT3A Q9Y6K1 3/20 0.62
KMT5A Q9NQR1 8/20 0.49
NSD2 O96028 1/20 0.47
EZH2 Q15910 1/20 0.47
NSD3 Q9BZ95 1/20 0.47
EHMT1 Q9H9B1 1/20 0.47
TLR9 Q9NR96 1/20 0.47
TLR7 Q9NYK1 1/20 0.47

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
SCHEMBL18103392 1.00 EHMT2 (0.64) EHMT2KDM1ARCOR1DNMT3AKMT5A
SCHEMBL18095981 0.87 DNMT3A (0.59) EHMT2KDM1ARCOR1DNMT3AKMT5A
SCHEMBL18103408 0.87 KMT5A (0.57) EHMT2KDM1ARCOR1DNMT3AKMT5A
Hydrochloric Acid SCHEMBL30197627 0.86 KMT5A (0.56) EHMT2KDM1ARCOR1DNMT3AKMT5A
SCHEMBL18103418 0.83 EHMT2 (0.70) EHMT2KDM1ARCOR1DNMT3AKMT5A
SCHEMBL30197646 0.83 EHMT2 (0.70) EHMT2KDM1ARCOR1DNMT3AKMT5A
SCHEMBL18103409 0.82 DNMT3A (0.58) EHMT2KDM1ARCOR1DNMT3AKMT5A
SCHEMBL30197579 0.82 DNMT3A (0.58) EHMT2KDM1ARCOR1DNMT3AKMT5A
SCHEMBL18103389 0.81 KMT5A (0.52) EHMT2KDM1ARCOR1DNMT3AKMT5A
SCHEMBL5049937 0.79 WHR1 (0.71) EHMT2KDM1ARCOR1DNMT3AKMT5A

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-3277676-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS DNA METHYLTRANSFERASE INHIBITORS PF MEDICAMENT (FR) 2023-03-22 EP disclosed