SCHEMBL9755414

SCHEMBL9755414

COc1c(CO)cc2nc3cc(C)ccc3cc2c1Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 6/20 0.45
▸ POLB P06746 2/20 0.44
▸ RAD52 P43351 2/20 0.44
▸ ACHE P22303 2/20 0.42
▸ TOP2A P11388 1/20 0.41
▸ TOP2B Q02880 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ GFER P55789 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL9755350 0.91 KDM1A (0.45) KDM1APOLBRAD52ACHETOP2A
SCHEMBL9755338 0.89 KDM1A (0.53) KDM1APOLBRAD52TOP2ATOP2B
SCHEMBL9755327 0.89 POLB (0.50) KDM1APOLBRAD52ACHETOP2A
SCHEMBL9755399 0.86 KDM1A (0.48) KDM1AACHETOP2ATOP2BKMT2A
SCHEMBL9755411 0.85 POLB (0.47) KDM1APOLBRAD52ACHETOP2A
SCHEMBL9755466 0.83 KDM1A (0.42) KDM1APOLBRAD52ACHETOP2A
SCHEMBL9755355 0.83 KDM1A (0.50) KDM1APOLBRAD52TOP2ATOP2B
SCHEMBL9755331 0.82 ACHE (0.39) KDM1APOLBRAD52ACHETOP2A
SCHEMBL9755334 0.81 ACHE (0.38) KDM1APOLBRAD52ACHETOP2A
SCHEMBL9755438 0.80 KDM1A (0.53) KDM1APOLBRAD52TOP2ATOP2B

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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