SCHEMBL10905704

SCHEMBL10905704

O=C1Nc2cccc3ccc(Cc4ccc5cccc6c5c4C(=O)N6)c1c23

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.36
▸ BLM P54132 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ RAD52 P43351 1/20 0.35
▸ GAA P10253 8/20 0.35
▸ MAPT P10636 7/20 0.35
▸ MEN1 O00255 5/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ATG4B Q9Y4P1 4/20 0.35
▸ PLEC Q15149 1/20 0.35
▸ APAF1 O14727 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33

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
SCHEMBL10865297 0.88 KMT2A (0.42) KMT2APARP1ALDH1A1BLMPOLB
SCHEMBL11838515 0.87 KMT2A (0.38) KMT2APARP1ALDH1A1BLMPOLB
SCHEMBL21104441 0.83 CDK2 (0.47) KMT2APARP1ALDH1A1BLMPOLB
SCHEMBL11403548 0.81 CDK2 (0.46) KMT2APARP1ALDH1A1BLMPOLB
SCHEMBL24317500 0.77 CDK2 (0.44) KMT2APARP1ALDH1A1BLMPOLB
SCHEMBL11318564 0.77 KMT2A (0.45) KMT2APARP1ALDH1A1BLMPOLB
SCHEMBL7936537 0.77 RAD52 (0.44) KMT2APARP1ALDH1A1BLMPOLB
SCHEMBL24317499 0.73 KMT2A (0.38) KMT2APARP1ALDH1A1CES1RAD52
SCHEMBL29533394 0.73 KMT2A (0.38) KMT2APARP1ALDH1A1CES1RAD52
SCHEMBL24317498 0.73 MAPT (0.43) KMT2APARP1ALDH1A1POLBGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0081125-B1 CATIONIC DYES, THEIR PREPARATION PROCESS AND THEIR USE IN DYEING AND MASS DYEING BAYER AG (DE) 1985-05-08 — — EP claimed
US-4598151-A Cationic dyestuffs, a process for their preparation, and their use for dyeing and mass-coloring BAYER AKTIENGESELLSCHAFT (DE) 1986-07-01 — — US disclosed
EP-0081125-B1 CATIONIC DYES, THEIR PREPARATION PROCESS AND THEIR USE IN DYEING AND MASS DYEING BAYER AG (DE) 1985-05-08 — — EP disclosed
EP-0081125-A1 Cationic dyes, their preparation process and their use in dyeing and mass dyeing BAYER AG (DE) 1983-06-15 — — EP disclosed
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