SCHEMBL8564912

SCHEMBL8564912

CCN(CC)C(C)c1cccc2nc(N)[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.39
▸ MASP2 O00187 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ NUDT1 P36639 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ AOC3 Q16853 1/20 0.37
▸ QTRT1 Q9BXR0 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.33
▸ TYMS P04818 11/20 0.33
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL13524890 0.80 MASP2 (0.44) MASP2MEN1ALDH1A1NUDT1KMT2A
SCHEMBL17329324 0.77 KMT2A (0.42) MASP2MEN1ALDH1A1NUDT1KMT2A
SCHEMBL14365376 0.70 MEN1 (0.44) MASP2MEN1ALDH1A1NUDT1KMT2A
SCHEMBL2735452 0.70 TLR8 (0.46) MASP2MEN1ALDH1A1NUDT1KMT2A
SCHEMBL14472200 0.68 KIF11 (0.47) PARP1MEN1ALDH1A1KMT2ALMNA
SCHEMBL8864413 0.68 TP53 (0.35) MASP2MEN1ALDH1A1NUDT1KMT2A
SCHEMBL727229 0.68 ALDH1A1 (0.48) PARP1MASP2MEN1ALDH1A1NUDT1
SCHEMBL473376 0.68 ALDH1A1 (0.39) PARP1ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL3287768 0.67 ALDH1A1 (0.52) PARP1MASP2MEN1ALDH1A1NUDT1
Hydrochloric Acid SCHEMBL473352 0.66 ALDH1A1 (0.38) PARP1MEN1ALDH1A1KMT2ACYP1A2

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
EP-0571253-B1 Benzimidazole derivatives with antidiabetic and antiplatelet aggregation activity ADIR (FR) 1998-11-04 — — EP disclosed
US-5639756-A ANTIDIABETIC AGENTS ADIR ET COMPAGNIE (FR) 1997-06-17 — — US disclosed
US-5623073-A ANTIDIABETIC AGENT ADIR ET COMPAGNIE (FR) 1997-04-22 — — US disclosed
EP-0571253-A1 Benzimidazole derivatives with antidiabetic and antiplatelet aggregation activity ADIR ET COMPAGNIE (FR) 1993-11-24 — — EP disclosed
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