SCHEMBL9019577

SCHEMBL9019577

N#Cc1cc(N)ccc1-c1cc[c]cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.42
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
STS P08842 1/20 0.38
ESR2 Q92731 1/20 0.34
MDM4 O15151 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP19A1 P11511 2/20 0.32
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32

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
SCHEMBL30101062 0.86 KDM4E (0.48) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL30533023 0.83 KDM4E (0.53) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL22780766 0.83 KDM4E (0.53) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL2638947 0.82 KDM4E (0.55) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL8111393 0.80 KDM4E (0.45) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL2751685 0.79 STS (0.53) STSESR2CYP19A1CHKA
SCHEMBL8866245 0.79 KDM4E (0.54) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL21715808 0.78 KDM4E (0.44) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL23915974 0.76 KIF11 (0.52) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL21136501 0.76 ALDH1A1 (0.56) KDM4EALDH1A1USP2MAPTHPGD

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
EP-0524781-B1 Therapeutic amides ZENECA LTD (GB) 1996-03-27 EP disclosed
EP-0524781-A1 Therapeutic amides ZENECA LIMITED (GB) 1993-01-27 EP disclosed