SCHEMBL5187338

SCHEMBL5187338

N=C(NCCc1ccccc1)c1cc(C(=O)O)c2c3ccc4c5c(ccc(c6ccc(C(=O)NCCc7ccccc7)c1c62)c53)C(=O)NC4=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ RAB9A P51151 5/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TNKS O95271 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36

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
SCHEMBL5576815 0.91 TP53 (0.40) KDM4ERAB9ANPC1MEN1KMT2A
SCHEMBL10341193 0.89 CHEK1 (0.47) ALDH1A1KDM4EKMT2AADORA2AADORA1
SCHEMBL5577030 0.89 HTT (0.36) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL5051814 0.88 MAPT (0.42) ALDH1A1KDM4ERAB9ANPC1MEN1
SCHEMBL5185602 0.88 CASP3 (0.35) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL6561059 0.85 HTT (0.39) ALDH1A1KDM4ECHEK1SMN1; SMN2
SCHEMBL1095842 0.84 ALOX5 (0.39) ALDH1A1KDM4ELMNAL3MBTL1POLB
SCHEMBL9511404 0.84 KDM4E (0.38) ALDH1A1KDM4ERAB9ANPC1MEN1
SCHEMBL2524404 0.84 ALOX5 (0.39) ALDH1A1KDM4ELMNAL3MBTL1POLB
SCHEMBL5574890 0.82 KDM4E (0.41) ALDH1A1KDM4ERAB9AMEN1KMT2A

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
US-6319645-B1 USEFUL IN ELECTROPHOTOGRAPHIC IMAGING AND PRINTING XEROX CORPORATION 2001-11-20 — — US claimed
EP-1235117-B1 Imaging members XEROX CORP (US) 2007-07-11 — — EP disclosed
EP-1235117-A1 Imaging members Xerox Corporation (US) 2002-08-28 — — EP disclosed
US-6319645-B1 USEFUL IN ELECTROPHOTOGRAPHIC IMAGING AND PRINTING XEROX CORPORATION 2001-11-20 — — US disclosed
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