SCHEMBL9755337

SCHEMBL9755337

Cc1ccc2nc3c(CO)c(C)c(C)c(Nc4ccccc4)c3cc2c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ ACHE P22303 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KDM1A O60341 4/20 0.40
▸ PSMB5 P28074 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TOP2A P11388 1/20 0.38
▸ TOP2B Q02880 1/20 0.38
▸ MAOA P21397 1/20 0.37

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
SCHEMBL9755373 0.88 ACHE (0.39) KMT2AMEN1ACHENPSR1KDM1A
SCHEMBL9755402 0.87 KDM1A (0.43) KMT2AMEN1KDM1AKDM4E
SCHEMBL9755378 0.80 KDM1A (0.44) KMT2AMEN1KDM1AKDM4EHTT
SCHEMBL9755371 0.80 KDM1A (0.48) KMT2AMEN1ACHENPSR1KDM1A
SCHEMBL9755340 0.79 ACHE (0.38) KMT2AMEN1ACHENPSR1KDM1A
SCHEMBL9755334 0.79 ACHE (0.38) KMT2AMEN1ACHENPSR1KDM1A
SCHEMBL9755410 0.78 KDM1A (0.41) KMT2AMEN1KDM1AKDM4E
SCHEMBL9755331 0.76 ACHE (0.39) KMT2AMEN1ACHENPSR1KDM1A
SCHEMBL9755350 0.72 KDM1A (0.45) KMT2AMEN1ACHENPSR1KDM1A
SCHEMBL9755321 0.71 ACHE (0.47) KMT2AMEN1ACHENPSR1KDM1A

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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