SCHEMBL11468301

SCHEMBL11468301

COc1cc2nc(N3CCN(C(=O)C=Cc4ccc5c(c4)OCO5)CC3)nc(N)c2cc1OC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
KDM4E B2RXH2 1/20 0.62
MEN1 O00255 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
MMP1 P03956 1/20 0.57
ADRB2 P07550 1/20 0.57
CHRM2 P08172 1/20 0.57
HTR1A P08908 1/20 0.57
ADRA2A P08913 1/20 0.57
CHRM1 P11229 1/20 0.57
ADRB3 P13945 1/20 0.57
ADRA2B P18089 1/20 0.57
ADRA2C P18825 1/20 0.57
DRD1 P21728 1/20 0.57
TBXA2R P21731 1/20 0.57
SLC6A2 P23975 1/20 0.57

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
SCHEMBL11468300 1.00 KMT2A (0.62) KMT2AKDM4EMEN1CYP1A2CYP3A4
SCHEMBL11478633 0.89 L3MBTL1 (0.62) ADRA1AADRA1B
SCHEMBL11478624 0.89 L3MBTL1 (0.62) ADRA1AADRA1B
SCHEMBL11469166 0.86 CFD (0.58)
SCHEMBL11469165 0.86 CFD (0.58)
SCHEMBL11472704 0.86 CFD (0.61)
SCHEMBL11466987 0.86 CFD (0.61)
SCHEMBL11472714 0.86 CFD (0.61)
SCHEMBL11466986 0.86 CFD (0.61)
SCHEMBL11476613 0.85 CFD (0.61)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4189484-A Antihypertensive quinazoline derivatives MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JP) 1980-02-19 US claimed
US-4189484-A Antihypertensive quinazoline derivatives MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JP) 1980-02-19 US disclosed