SCHEMBL6785331

SCHEMBL6785331

COc1cc2nc(NCCNC(=O)c3cc(C)cc(C)c3)nc(N)c2cc1OC

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.52
MAPT P10636 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MITF O75030 1/20 0.48
POLB P06746 1/20 0.48
BLM P54132 1/20 0.48
CFTR P13569 1/20 0.46
ABCB1 P08183 1/20 0.46

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
SCHEMBL6781777 0.94 TP53 (0.50) TP53MAPTMEN1KMT2AMITF
SCHEMBL8930316 0.83 ABCB1 (0.44) TP53MAPTMEN1KMT2AABCB1
SCHEMBL6779380 0.81 KDM1A (0.51) TP53MAPTMEN1KMT2A
SCHEMBL6779429 0.81 GLA (0.54) KMT2APOLB
SCHEMBL20280946 0.76 TP53 (0.56) TP53MAPTMEN1KMT2AMITF
SCHEMBL10837757 0.76 TP53 (0.56) TP53MAPTMEN1KMT2AMITF
SCHEMBL30526270 0.76 TP53 (0.56) TP53MAPTMEN1KMT2AMITF
SCHEMBL20280937 0.76 HIF1A (0.46) TP53MAPTMEN1KMT2A
SCHEMBL20281057 0.76 POLB (0.57) MAPTMEN1KMT2APOLB
SCHEMBL20280939 0.75 HDAC3 (0.42) TP53MAPTMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8208626-A None JP disclosed
US-6706705-B1 SLOW AND CONTINUOUS BLOOD PRESSURE REDUCING ACTION AND IS USEFUL AS AN ANTIHYPERTENSIVE AGENT NIPPON CHEMIPHAR CO., LTD. (JP) 2004-03-16 US disclosed
EP-0794178-A1 QUINAZOLINE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1997-09-10 EP disclosed
JP-H08208626-A QUINAZOLINE DERIVATIVE AND HYPOTENSOR NIPPON CHEMIPHAR CO LTD 1996-08-13 JP disclosed