SCHEMBL7375853

SCHEMBL7375853

O=[N+]([O-])c1cnccc1NC(c1ccncc1)C1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.42
▸ HTT P42858 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ AKT1 P31749 8/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ SLC6A3 Q01959 1/20 0.34

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
SCHEMBL7376401 0.80 PKM (0.39) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL14521403 0.76 MEN1 (0.75) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL6410234 0.73 SLC6A3 (0.40) KMT2AALDH1A1HTTRAB9AAKT1
SCHEMBL23852951 0.70 ALDH1A1 (0.56) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL7256983 0.69 AKT1 (0.48) MEN1KMT2ARAB9AAKT1CDK2
SCHEMBL13834721 0.69 MEN1 (0.50) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL29539267 0.69 MEN1 (0.86) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL929466 0.69 MEN1 (0.86) MEN1KMT2AALDH1A1HTTRAB9A
Hydrochloric Acid SCHEMBL13834520 0.68 MEN1 (0.49) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL31302447 0.68 MEN1 (0.70) MEN1KMT2AALDH1A1HTTRAB9A

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-1140881-A1 ANTITHROMBOTIC AMIDES ELI LILLY AND COMPANY (US) 2001-10-10 — — EP disclosed
WO-2000039111-A1 ANTITHROMBOTIC AMIDES ELI LILLY AND COMPANY (US) 2000-07-06 — — WO disclosed
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