SCHEMBL9594500

SCHEMBL9594500

COc1cc2nc3cc(C)ccc3c(Nc3ccc(CO)cc3)c2cc1OC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 4/20 0.49
▸ SLC2A1 P11166 1/20 0.48
▸ EGFR P00533 2/20 0.47
▸ ERBB2 P04626 1/20 0.47
▸ PDPK1 O15530 1/20 0.44
▸ MAP2K1 Q02750 2/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ KDR P35968 1/20 0.42
▸ TP53 P04637 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ MITF O75030 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ CSF1R P07333 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
SCHEMBL9594855 0.93 KDM1A (0.47) KDM1ASLC2A1EGFRERBB2HDAC1
SCHEMBL9592981 0.93 KDM1A (0.47) KDM1ASLC2A1EGFRERBB2HDAC1
SCHEMBL9594824 0.93 SLC2A1 (0.48) KDM1ASLC2A1EGFRERBB2PDPK1
SCHEMBL9593647 0.92 KDM1A (0.50) KDM1ASLC2A1EGFRERBB2PDPK1
SCHEMBL9594322 0.89 KDM1A (0.53) KDM1AHDAC1HDAC6MEN1KMT2A
SCHEMBL9592698 0.88 KDM1A (0.53) KDM1AEGFRPDPK1MAP2K1HDAC1
SCHEMBL9593806 0.88 KDM1A (0.54) KDM1ASLC2A1EGFRERBB2PDPK1
SCHEMBL9594474 0.88 KDM1A (0.51) KDM1ASLC2A1EGFRERBB2PDPK1
SCHEMBL9594966 0.88 KDM1A (0.54) KDM1ASLC2A1EGFRERBB2PDPK1
SCHEMBL9595752 0.88 TOP2A (0.58) KDM1AEGFRERBB2PDPK1KDR

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