SCHEMBL9593226

SCHEMBL9593226

COc1ccc2nc3cc(C)ccc3c(Nc3ccc(CO)cc3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.57
▸ HDAC6 Q9UBN7 1/20 0.57
▸ PHLPP2 Q6ZVD8 2/20 0.57
▸ KDM1A O60341 5/20 0.54
▸ ADORA2A P29274 2/20 0.51
▸ KMT2A Q03164 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ RAD52 P43351 2/20 0.50
▸ GFER P55789 1/20 0.50
▸ CYP19A1 P11511 1/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ PKM P14618 1/20 0.49
▸ APP P05067 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ ERCC1 P07992 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CASP1 P29466 1/20 0.47

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
SCHEMBL9595076 0.96 HDAC1 (0.55) HDAC1HDAC6PHLPP2KDM1AADORA2A
SCHEMBL9594991 0.94 KDM1A (0.54) HDAC1HDAC6PHLPP2KDM1AADORA2A
SCHEMBL9595701 0.94 KDM1A (0.54) HDAC1HDAC6PHLPP2KDM1AADORA2A
SCHEMBL9594305 0.93 PHLPP2 (0.61) HDAC1HDAC6PHLPP2KDM1AADORA2A
SCHEMBL9594191 0.91 KDM1A (0.59) HDAC1HDAC6PHLPP2KDM1AADORA2A
SCHEMBL9595042 0.90 KDM1A (0.55) KDM1A
SCHEMBL9595381 0.89 HDAC1 (0.54) HDAC1HDAC6PHLPP2KDM1AADORA2A
SCHEMBL9594489 0.88 KDM1A (0.59) HDAC1HDAC6PHLPP2KDM1AADORA2A
SCHEMBL9594934 0.88 TOP2A (0.59) HDAC1HDAC6PHLPP2KDM1AADORA2A
SCHEMBL9594504 0.87 KDM1A (0.69) HDAC1HDAC6PHLPP2KDM1AKMT2A

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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