SCHEMBL7854459

SCHEMBL7854459

CCNC(=O)c1ccccc1-n1ccc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 1/20 0.48
▸ MAPK1 P28482 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ BRD4 O60885 3/20 0.44
▸ HTR2C P28335 1/20 0.43
▸ JUN P05412 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ ACKR3 P25106 1/20 0.41
▸ HSP90AA1 P07900 2/20 0.41
▸ CXCR4 P61073 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HSP90AB1 P08238 1/20 0.40
▸ HSP90B1 P14625 1/20 0.40
▸ TRAP1 Q12931 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL154462 0.79 NOTUM (0.50) MAPK1USP2POLBBRD4HSP90AA1
SCHEMBL6303368 0.78 MYC (0.53) MAPK1USP2POLBHSP90AA1KMT2A
SCHEMBL28436731 0.77 L3MBTL1 (0.56) POLBHSP90AA1KMT2AL3MBTL1ALDH1A1
SCHEMBL30637639 0.76 NPC1 (0.46) CDK2HSP90AA1KMT2AL3MBTL1ALDH1A1
SCHEMBL8610906 0.76 NPC1 (0.46) CDK2HSP90AA1KMT2AL3MBTL1ALDH1A1
SCHEMBL30928942 0.76 NPC1 (0.46) CDK2HSP90AA1KMT2AL3MBTL1ALDH1A1
SCHEMBL152899 0.74 HSP90AA1 (0.50) POLBHSP90AA1KMT2AL3MBTL1ALDH1A1
SCHEMBL7854463 0.73 PARP1 (0.41) DOT1LHSP90AA1KMT2AALDH1A1HSP90AB1
SCHEMBL31483721 0.73 HTT (0.64) BRD4KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL26417076 0.73 HTT (0.64) BRD4KMT2AL3MBTL1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077927-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 2001-02-28 — — EP disclosed
WO-1999058495-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1999-11-18 — — WO disclosed
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