SCHEMBL9595558

SCHEMBL9595558

COc1cc2c(Nc3ccc(CO)cc3)c3cc(C)c(C)cc3nc2cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 4/20 0.48
▸ DHFR P00374 1/20 0.42
▸ PDPK1 O15530 1/20 0.41
▸ POLB P06746 4/20 0.40
▸ RAD52 P43351 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAP2K1 Q02750 2/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ TOP2A P11388 1/20 0.40
▸ TOP2B Q02880 1/20 0.40
▸ SLC2A1 P11166 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ EGFR P00533 2/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ PHLPP2 Q6ZVD8 1/20 0.38

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
SCHEMBL9594205 0.98 KDM1A (0.48) KDM1ADHFRPDPK1POLBRAD52
SCHEMBL9594474 0.95 KDM1A (0.51) KDM1ADHFRPDPK1POLBRAD52
SCHEMBL9593806 0.95 KDM1A (0.54) KDM1ADHFRPDPK1POLBRAD52
SCHEMBL9594966 0.95 KDM1A (0.54) KDM1APDPK1POLBRAD52MAPT
SCHEMBL9592981 0.91 KDM1A (0.47) KDM1APOLBRAD52HDAC1HDAC6
SCHEMBL9594919 0.91 MEN1 (0.46) KDM1APOLBRAD52HDAC1HDAC6
SCHEMBL9594286 0.90 HDAC1 (0.52) KDM1APOLBRAD52MAPTHDAC1
SCHEMBL9592115 0.90 KDM1A (0.50) KDM1APOLBRAD52MAPTTP53
SCHEMBL9593869 0.90 KDM1A (0.54) KDM1APOLBRAD52MAPTHDAC1
SCHEMBL9593647 0.89 KDM1A (0.50) KDM1APDPK1POLBMAPTTP53

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
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