SCHEMBL9123512

SCHEMBL9123512

Cn1nc2cccnc2c1Nc1ccc(O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 2/20 0.62
▸ GAA P10253 5/20 0.41
▸ MAPT P10636 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KDR P35968 1/20 0.40
▸ PLK1 P53350 1/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ ABCG2 Q9UNQ0 2/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ NPC1 O15118 2/20 0.38

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
SCHEMBL14867347 0.78 GRM4 (0.76) GRM4MAPTMEN1KMT2ANPC1
SCHEMBL6923559 0.77 GRM4 (1.00) GRM4LMNAKDRAURKBABCG2
SCHEMBL9138367 0.70 GRM4 (0.46) GRM4MAPTALDH1A1HTTLMNA
SCHEMBL14430215 0.68 GRM4 (0.43) GRM4MAPTALDH1A1HTTLMNA
SCHEMBL4498501 0.65 AURKA (0.63) GAAMAPTALDH1A1HTTLMNA
SCHEMBL9702768 0.65 HDAC6 (0.65) GAAMAPTALDH1A1HTTLMNA
SCHEMBL23067956 0.64 GRM4 (0.41) GRM4MAPTALDH1A1HTTLMNA
SCHEMBL5027038 0.64 CA12 (0.62) GAAMAPTALDH1A1HTTLMNA
SCHEMBL15064423 0.63 NAMPT (0.53) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL21933041 0.63 GAA (0.50) GAAMAPTALDH1A1HTTLMNA

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-5391482-A Method and diagnostic agent for enzyme substrate stabilization using 1-arylsemicarbazides BOEHRINGER MANNHEIM GMBH (DE) 1995-02-21 — — US claimed
US-5334505-A For colorimetric determination of hydrolases BOEHRINGER MANNHEIM GMBH (DE) 1994-08-02 — — US claimed
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