SCHEMBL9547296

SCHEMBL9547296

CCCC(Cl)c1c(Nc2c3ccccc3nc3ccccc23)cc(O)cc1N(CC)C(Cl)CCC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 2/20 0.39
KDM1A O60341 3/20 0.39
CACNA2D1 P54289 8/20 0.38
POLB P06746 2/20 0.37
RAD52 P43351 2/20 0.37
GFER P55789 1/20 0.37
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
NCOA3 Q9Y6Q9 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
SCHEMBL9547286 0.71 MEN1 (0.41) MEN1KMT2AGAAKDM1ACACNA2D1
SCHEMBL9547266 0.69 KDM1A (0.44) MEN1KMT2AGAAKDM1ACACNA2D1
SCHEMBL9547253 0.62 KDM1A (0.42) MEN1KMT2AGAAKDM1APOLB
SCHEMBL4939495 0.59 MEN1 (0.67) MEN1KMT2AGAAKDM1APOLB
SCHEMBL9547317 0.59 TOP2A (0.60) MEN1KMT2AKDM1APOLBRAD52
SCHEMBL5404455 0.58 KMT2A (0.48) MEN1KMT2AGAAKDM1APOLB
SCHEMBL28241436 0.58 KDM4E (0.55) KMT2AGAACACNA2D1POLBRAD52
SCHEMBL13692586 0.58 KDM1A (0.58) MEN1KMT2AGAAKDM1APOLB
SCHEMBL4658830 0.58 KDM1A (0.67) MEN1KMT2AGAAKDM1APOLB
SCHEMBL23630584 0.57 KDM1A (0.78) MEN1KMT2AGAAKDM1APOLB

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