SCHEMBL11528414

SCHEMBL11528414

N=C(N)NOC(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCNN1A P37088 11/20 0.51
▸ ALDH1A1 P00352 8/20 0.51
▸ HSD17B10 Q99714 7/20 0.51
▸ KDM4E B2RXH2 7/20 0.51
▸ HPGD P15428 7/20 0.51
▸ GLA P06280 6/20 0.51
▸ CYP1A2 P05177 5/20 0.51
▸ LMNA P02545 4/20 0.51
▸ CYP2D6 P10635 4/20 0.51
▸ GAA P10253 3/20 0.51
▸ PLAU P00749 3/20 0.51
▸ FTO Q9C0B1 2/20 0.51
▸ BLM P54132 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ SLC22A1 O15245 1/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ SLC9A1 P19634 1/20 0.51
▸ MAOA P21397 1/20 0.51
▸ ADORA2A P29274 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51

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
SCHEMBL11528389 0.82 CYP1A2 (0.58) SCNN1AALDH1A1HSD17B10KDM4EHPGD
SCHEMBL11529197 0.79 GRM5 (0.50) SCNN1AALDH1A1HSD17B10KDM4EHPGD
Amiloride SCHEMBL27562 0.79 SCNN1A (0.58) SCNN1AALDH1A1HSD17B10KDM4EHPGD
Amiloride SCHEMBL15517241 0.79 SCNN1A (0.58) SCNN1AALDH1A1HSD17B10KDM4EHPGD
SCHEMBL29625000 0.78 SCNN1A (0.53) SCNN1AALDH1A1HSD17B10KDM4EHPGD
SCHEMBL1136751 0.78 SCNN1A (0.53) SCNN1AALDH1A1HSD17B10KDM4EHPGD
Amiloride SCHEMBL3253482 0.78 SCNN1A (0.57) SCNN1AALDH1A1HSD17B10KDM4EHPGD
Amiloride SCHEMBL17986365 0.78 SCNN1A (0.57) SCNN1AALDH1A1HSD17B10KDM4EHPGD
Amiloride SCHEMBL21524891 0.78 SCNN1A (0.57) SCNN1AALDH1A1HSD17B10KDM4EHPGD
Amiloride SCHEMBL1441814 0.78 SCNN1A (0.57) SCNN1AALDH1A1HSD17B10KDM4EHPGD

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
US-4145551-A DIURETICS MERCK & CO., INC. (US) 1979-03-20 — — US claimed
US-4145551-A DIURETICS MERCK & CO., INC. (US) 1979-03-20 — — US disclosed
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