SCHEMBL7544327

SCHEMBL7544327

C=CCc1nn[nH]c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ KDM4E B2RXH2 3/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ OPRD1 P41143 1/20 0.31
▸ IDH1 O75874 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ GP6 Q9HCN6 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
SCHEMBL11015928 0.77 DHFR (0.39) HPGDL3MBTL1KDM4ECYP3A4MAPT
SCHEMBL16050773 0.75 NR1H2 (0.42) HPGDKDM4ECYP3A4MAPTNPC1
SCHEMBL16401560 0.74 TDP1 (0.38) HPGDKDM4ECYP3A4MAPTNPC1
SCHEMBL701770 0.74 GRM5 (0.37) HPGDKDM4ECYP3A4MAPTNPC1
SCHEMBL31518204 0.72 KDM4E (0.38) HPGDKDM4ECYP3A4MAPTNPC1
SCHEMBL11742762 0.72 LMNA (0.45) HPGDKDM4ECYP3A4MAPTNPC1
SCHEMBL10859894 0.72 KDM4E (0.55) HPGDL3MBTL1KDM4ECYP3A4MAPT
SCHEMBL9706893 0.72 HPGD (0.36) HPGDL3MBTL1KDM4EMAPTNPC1
SCHEMBL10815658 0.72 LTA4H (0.34) L3MBTL1CYP3A4MAPTNPC1RAB9A
SCHEMBL10534929 0.72 — —

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1468232-A Heterocyclic sodium/proton exchange inhibitors and method ����˹�ж�-����˹˹������˾ 2004-01-14 — — CN claimed
EP-1224183-A2 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2002-07-24 — — EP claimed
WO-2001027107-A2 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-04-19 — — WO claimed
CN-1468232-A Heterocyclic sodium/proton exchange inhibitors and method ����˹�ж�-����˹˹������˾ 2004-01-14 — — CN disclosed
EP-1224183-A2 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2002-07-24 — — EP disclosed
WO-2001027107-A2 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-04-19 — — WO disclosed
WO-1997040025-A1 SOLID PHASE AND COMBINATORIAL SYNTHESIS OF SUBSTITUTED 1,2,3-TRIAZOLES AND OF ARRAYS OF SUBSTITUTED 1,2,3-TRIAZOLES NOVO NORDISK A/S (DK) 1997-10-30 — — WO disclosed
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