SCHEMBL11269414

SCHEMBL11269414

CCN(CC)CC(=O)Nc1nc2c([N+](=O)[O-])c3nc(NC(=O)CN(CC)CC)sc3cc2s1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ ACP1 P24666 3/20 0.47
▸ MAPT P10636 6/20 0.46
▸ PKM P14618 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ DYRK1A Q13627 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NOD2 Q9HC29 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ HPGD P15428 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
SCHEMBL11259222 0.84 NPC1 (0.49) KMT2AALDH1A1MEN1ACP1MAPT
SCHEMBL11271207 0.83 MAPT (0.44) KMT2AALDH1A1MEN1ACP1MAPT
SCHEMBL11262352 0.83 MAPT (0.49) KMT2AALDH1A1MEN1MAPTNPSR1
SCHEMBL11262236 0.83 MAPT (0.47) KMT2AALDH1A1MEN1MAPTNPSR1
SCHEMBL11269297 0.81 SMN1; SMN2 (0.47) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL11256671 0.78 RAB9A (0.49) KMT2AALDH1A1ACP1MAPTPOLB
SCHEMBL4509401 0.77 RAB9A (0.50) KMT2AALDH1A1ACP1MAPTPOLB
SCHEMBL4493348 0.73 CASP2 (0.55) KMT2AALDH1A1MEN1ACP1MAPT
SCHEMBL11262749 0.72 ALDH1A1 (0.41) KMT2AALDH1A1MEN1ACP1MAPT
SCHEMBL11259059 0.72 MAPT (0.44) KMT2AALDH1A1ACP1MAPTPOLB

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
US-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 — — US disclosed
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