SCHEMBL10747760

SCHEMBL10747760

N=C(N)Nc1nc(-c2ccc(N)cc2)co1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.38
▸ ATP4A P20648 3/20 0.35
▸ ATP4B P51164 3/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ PLAU P00749 2/20 0.34
▸ METAP2 P50579 1/20 0.34
▸ LTA4H P09960 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ENPP3 O14638 1/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ THPO P40225 2/20 0.32
▸ MASP2 O00187 1/20 0.32
▸ VCP P55072 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL11258250 0.82 ALDH1A1 (0.41) HSD11B1METAP2MEN1KMT2AALDH1A1
SCHEMBL10814638 0.80 MAPT (0.42) MEN1KMT2AALDH1A1MAPTNPC1
Hydrochloric Acid SCHEMBL10749326 0.79 MAPT (0.41) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL10749927 0.77 HSD11B1 (0.32) HSD11B1ENPP3ENPP1
Hydrochloric Acid SCHEMBL27874885 0.76 HSD11B1 (0.40) HSD11B1ATP4AATP4BMETAP2LTA4H
SCHEMBL10750604 0.75 HSD11B1 (0.30) HSD11B1
SCHEMBL10750596 0.75 HSD11B1 (0.30) HSD11B1
SCHEMBL10750468 0.73 CYP2C9 (0.31) —
SCHEMBL10749117 0.73 — —
SCHEMBL10749111 0.73 — —

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-0089730-B1 GUANIDINO HETEROCYCLICPHENYLAMIDINES, PROCESSES FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ISTITUTO DE ANGELI S.p.A. (IT) 1987-05-27 — — EP disclosed
US-4645841-A ANTIULCER AGENTS ISTITUTO DE ANGELI, S.P.A. (IT) 1987-02-24 — — US disclosed
US-4548944-A ANTIULCER, ANTISECRETORY AGENTS ISTITUTO DE ANGELI S.P.A. (IT) 1985-10-22 — — US disclosed
EP-0089730-A2 Guanidino heterocyclicphenylamidines, processes for their preparation and their pharmaceutical use ISTITUTO DE ANGELI S.p.A. (IT) 1983-09-28 — — EP disclosed
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