SCHEMBL7376401

SCHEMBL7376401

O=[N+]([O-])c1cccnc1NC(c1ccncc1)C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.39
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ MAPT P10636 4/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ SMYD3 Q9H7B4 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ AKT1 P31749 1/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ITGB1 P05556 1/20 0.36
▸ ITGA4 P13612 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2875576 0.81 MAPT (0.45) PKMMAPTNPC1RAB9AKMT2A
SCHEMBL7375853 0.80 MEN1 (0.48) SLC6A2SLC6A4MAPTRAB9AKMT2A
Ammonia Solution, Strong SCHEMBL7446734 0.78 AKT1 (0.43) MAPTNPC1RAB9AKMT2ASMYD3
SCHEMBL12124647 0.74 MAPT (0.45) PKMMAPTNPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL15204558 0.73 MAPT (0.44) PKMMAPTNPC1RAB9AKMT2A
SCHEMBL5756624 0.72 KDR (0.54) MAPTNPC1RAB9AKMT2AAKT1
SCHEMBL5760425 0.71 KDR (0.39) SLC6A2SLC6A4KMT2ACDK2AKT1
Hydrochloric Acid SCHEMBL7558014 0.70 AKT1 (0.42) SMYD3CDK2AKT1
SCHEMBL5760397 0.70 MEN1 (0.56) PKMMAPTNPC1RAB9AKMT2A
SCHEMBL7451045 0.70 KDR (0.43) CDK2AKT1

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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