SCHEMBL9547266

SCHEMBL9547266

CCC(I)c1c(Nc2c3ccccc3nc3ccccc23)cc(O)cc1N(C)C(I)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.44
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
GAA P10253 3/20 0.41
POLB P06746 4/20 0.39
RAD52 P43351 2/20 0.39
GFER P55789 1/20 0.39
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LY6K Q17RY6 1/20 0.35
TOP2A P11388 1/20 0.34
TOP2B Q02880 1/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL9547262 0.71 TOP2A (0.46) KDM1AKMT2AMEN1GAAPOLB
SCHEMBL9547296 0.69 MEN1 (0.39) KDM1AKMT2AMEN1GAAPOLB
SCHEMBL9547253 0.68 KDM1A (0.42) KDM1AKMT2AMEN1GAAPOLB
SCHEMBL9300541 0.66 TOP2B (0.48) KDM1AKMT2AMEN1GAARAD52
SCHEMBL4939495 0.60 MEN1 (0.67) KDM1AKMT2AMEN1GAAPOLB
SCHEMBL5404455 0.60 KMT2A (0.48) KDM1AKMT2AMEN1GAAPOLB
SCHEMBL13692586 0.60 KDM1A (0.58) KDM1AKMT2AMEN1GAAPOLB
SCHEMBL4658830 0.60 KDM1A (0.67) KDM1AKMT2AMEN1GAAPOLB
SCHEMBL8125169 0.59 CYP1A2 (0.51) KMT2AGAAPOLBMAPTKDM4E
SCHEMBL23630584 0.59 KDM1A (0.78) KDM1AKMT2AMEN1GAAPOLB

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
WO-1993023049-A1 3-(9-ACRIDINYLAMINO)-5-HYDROXYMETHYLANILINE DERIVATIVES AS ANTICANCER AGENTS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1993-11-25 WO claimed