SCHEMBL9594919

SCHEMBL9594919

COc1cc2c(Nc3ccc(CO)cc3)c3cc(C)ccc3nc2cc1C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ KDM1A O60341 5/20 0.46
▸ ACHE P22303 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ RAD52 P43351 1/20 0.43
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ SLC2A1 P11166 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ ERBB2 P04626 1/20 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
SCHEMBL9592705 0.96 MEN1 (0.46) MEN1KMT2AKDM1AACHEPOLB
SCHEMBL9592981 0.93 KDM1A (0.47) KDM1AACHEPOLBRAD52HDAC1
SCHEMBL9594824 0.93 SLC2A1 (0.48) MEN1KMT2AKDM1AACHEHDAC1
SCHEMBL9594966 0.91 KDM1A (0.54) MEN1KMT2AKDM1APOLBRAD52
SCHEMBL9595558 0.91 KDM1A (0.48) KMT2AKDM1APOLBRAD52HDAC1
SCHEMBL9594286 0.90 HDAC1 (0.52) MEN1KMT2AKDM1APOLBGAA
SCHEMBL9594855 0.89 KDM1A (0.47) KDM1AACHEPOLBRAD52HDAC1
SCHEMBL9594205 0.89 KDM1A (0.48) KMT2AKDM1APOLBRAD52HDAC1
SCHEMBL9593806 0.89 KDM1A (0.54) MEN1KMT2AKDM1APOLBRAD52
SCHEMBL9594310 0.88 KDM1A (0.51) KMT2AKDM1AACHEPOLBGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991005770-A1 POTENTIAL ANTICANCER AGENTS DERIVED FROM ACRIDINE SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1991-05-02 — — WO claimed
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
Send feedback