SCHEMBL9755466

SCHEMBL9755466

COc1cc2nc3cc(C)ccc3cc2c(Nc2ccccc2)c1CO

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.42
▸ ACHE P22303 2/20 0.42
▸ NUDT1 P36639 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ PLAU P00749 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MAP2K1 Q02750 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ CSF1R P07333 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TOP2A P11388 1/20 0.39
▸ TOP2B Q02880 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ PDGFRA P16234 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
SCHEMBL9755351 0.89 KDM1A (0.50) KDM1ANUDT1POLBRAD52PLAU
SCHEMBL9755380 0.89 POLB (0.47) KDM1AACHENUDT1POLBRAD52
SCHEMBL9755321 0.86 ACHE (0.47) KDM1AACHENPSR1ALDH1A1KMT2A
SCHEMBL9755414 0.83 KDM1A (0.45) KDM1AACHEPOLBRAD52NPSR1
SCHEMBL9755399 0.80 KDM1A (0.48) KDM1AACHENPSR1KMT2ATOP2A
SCHEMBL9755331 0.80 ACHE (0.39) KDM1AACHEPOLBRAD52PLAU
SCHEMBL9755340 0.79 ACHE (0.38) KDM1AACHEPOLBRAD52NPSR1
SCHEMBL9755334 0.79 ACHE (0.38) KDM1AACHEPOLBRAD52NPSR1
SCHEMBL9755333 0.76 KDM1A (0.51) KDM1APOLBRAD52KMT2ATOP2A
SCHEMBL9755411 0.74 POLB (0.47) KDM1AACHENUDT1POLBRAD52

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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