SCHEMBL9755380

SCHEMBL9755380

COc1cc2nc3ccccc3cc2c(Nc2ccccc2)c1CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.47
▸ RAD52 P43351 2/20 0.47
▸ TOP2A P11388 1/20 0.44
▸ TOP2B Q02880 1/20 0.44
▸ NUDT1 P36639 1/20 0.44
▸ KDM1A O60341 7/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ GFER P55789 1/20 0.44
▸ MAP2K1 Q02750 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ APP P05067 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 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
SCHEMBL9755351 0.89 KDM1A (0.50) POLBRAD52NUDT1KDM1AKMT2A
SCHEMBL9755466 0.89 KDM1A (0.42) POLBRAD52TOP2ATOP2BNUDT1
SCHEMBL9755333 0.84 KDM1A (0.51) POLBRAD52TOP2ATOP2BKDM1A
SCHEMBL9755327 0.81 POLB (0.50) POLBRAD52TOP2ATOP2BKDM1A
SCHEMBL9755413 0.77 TOP2A (0.50) POLBRAD52TOP2ATOP2BKDM1A
SCHEMBL9755390 0.76 TOP2A (0.55) POLBRAD52TOP2ATOP2BKDM1A
SCHEMBL9755321 0.74 ACHE (0.47) TOP2ATOP2BKDM1AKMT2AACHE
SCHEMBL9755411 0.73 POLB (0.47) POLBRAD52TOP2ATOP2BNUDT1
SCHEMBL9755394 0.73 POLB (0.44) POLBRAD52NUDT1KDM1AMAP2K1
SCHEMBL9593647 0.72 KDM1A (0.50) POLBKDM1AMAP2K1EGFRKDR

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 1 patent. 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 disclosed
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