SCHEMBL9603057

SCHEMBL9603057

OCCc1ccccc1Nc1c2ccccc2nc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.55
POLB P06746 4/20 0.53
RAD52 P43351 3/20 0.53
RAB9A P51151 3/20 0.53
GAA P10253 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MITF O75030 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
TTR P02766 1/20 0.53
GLA P06280 1/20 0.53
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TOP2A P11388 2/20 0.48
TOP2B Q02880 2/20 0.48
GFER P55789 1/20 0.44
ATM Q13315 2/20 0.44

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
SCHEMBL9595420 0.89 KDM1A (0.60) KDM1APOLBRAD52RAB9AGAA
SCHEMBL13692586 0.81 KDM1A (0.58) KDM1APOLBRAD52RAB9AGAA
SCHEMBL9594810 0.76 TOP2A (0.55) KDM1APOLBRAD52RAB9AKDM4E
SCHEMBL9603150 0.75 HDAC3 (0.67) KDM1APOLBRAD52KDM4EMITF
SCHEMBL4939495 0.75 MEN1 (0.67) KDM1APOLBRAD52RAB9AGAA
SCHEMBL9594846 0.74 KMT2A (0.62) KDM1APOLBRAD52RAB9AGAA
SCHEMBL28549525 0.74 FABP4 (0.47) RAB9AGAAKDM4EALDH1A1LMNA
SCHEMBL9594009 0.74 TOP2A (0.49) KDM1APOLBRAD52RAB9AKDM4E
SCHEMBL23630584 0.73 KDM1A (0.78) KDM1APOLBRAD52RAB9AGAA
SCHEMBL15673424 0.73 KDM1A (0.66) KDM1APOLBRAD52RAB9AGAA

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-5229395-A Potential anticancer agents derived from acridine SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1993-07-20 US disclosed
WO-1991005770-A1 POTENTIAL ANTICANCER AGENTS DERIVED FROM ACRIDINE SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1991-05-02 WO disclosed