SCHEMBL9593499

SCHEMBL9593499

COc1cc2nc3cc(C)c(C)cc3c(Cl)c2cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 2/20 0.46
▸ PDE3A Q14432 2/20 0.46
▸ ACHE P22303 1/20 0.45
▸ NQO2 P16083 3/20 0.44
▸ POLB P06746 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ G6PD P11413 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ AMY1A P0DUB6 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ RAD52 P43351 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42

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
SCHEMBL9593890 0.93 NQO2 (0.47) PDE3BPDE3AACHENQO2POLB
SCHEMBL9594269 0.93 NQO2 (0.47) PDE3BPDE3AACHENQO2POLB
SCHEMBL9594784 0.93 PDE3B (0.46) PDE3BPDE3AACHENQO2POLB
SCHEMBL9593886 0.93 PDE3B (0.46) PDE3BPDE3AACHENQO2POLB
SCHEMBL9601982 0.91 NQO2 (0.52) PDE3BPDE3AACHENQO2POLB
SCHEMBL9595239 0.84 NQO2 (0.46) PDE3BPDE3ANQO2POLBMAPT
SCHEMBL9595219 0.81 TP53 (0.46) PDE3BPDE3AACHENQO2POLB
SCHEMBL9594424 0.81 LMNA (0.47) PDE3BPDE3AACHENQO2POLB
SCHEMBL11809733 0.79 MAOA (0.60) PDE3BPDE3ANQO2POLBMAPT
SCHEMBL9595412 0.79 LMNA (0.45) ACHENQO2POLBMAPTLMNA

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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