SCHEMBL8796953

SCHEMBL8796953

CCNc1cc2ncnc(NCc3ccccc3OCCCN(CC)CC)c2cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.46
EGFR P00533 2/20 0.46
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
PDGFRB P09619 1/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
PDE5A O76074 1/20 0.41
GAA P10253 1/20 0.41
USP2 O75604 4/20 0.41
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2D6 P10635 4/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 3/20 0.41
CYP2C19 P33261 3/20 0.41

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
SCHEMBL8795886 0.96 MAPK1 (0.47) MAPK1EGFRALDH1A1KDM4ESMN1; SMN2
SCHEMBL8796516 0.92 MAPK1 (0.47) MAPK1EGFRALDH1A1KDM4ESMN1; SMN2
SCHEMBL8795418 0.88 MAPK1 (0.49) MAPK1EGFRALDH1A1KDM4ESMN1; SMN2
SCHEMBL8825801 0.86 MAPK1 (0.64) MAPK1EGFRALDH1A1KDM4ESMN1; SMN2
SCHEMBL8796546 0.85 EGFR (0.51) MAPK1EGFRALDH1A1KDM4ERXFP1
SCHEMBL8795310 0.85 AURKA (0.44) MAPK1EGFRALDH1A1KDM4EPDGFRB
SCHEMBL8795456 0.84 HTT (0.46) MAPK1EGFRSMN1; SMN2PDGFRBHTT
SCHEMBL8796533 0.84 PIK3CA (0.45) MAPK1EGFRALDH1A1KDM4EPDGFRB
SCHEMBL8795731 0.83 PIK3CA (0.45) MAPK1EGFRALDH1A1KDM4ESMN1; SMN2
SCHEMBL8796269 0.83 PIK3CA (0.46) MAPK1EGFRALDH1A1KDM4ESMN1; SMN2

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-0758653-A1 IMIDAZOQUINAZOLINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-02-19 EP disclosed