SCHEMBL9588376

SCHEMBL9588376

Cc1cccc(NC=C(C#N)C#N)n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.52
▸ MEN1 O00255 5/20 0.52
▸ RAB9A P51151 4/20 0.47
▸ NPC1 O15118 3/20 0.45
▸ ATM Q13315 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GRM5 P41594 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ FDPS P14324 1/20 0.41
▸ FDFT1 P37268 1/20 0.41
▸ GBA1 P04062 1/20 0.41

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
SCHEMBL9587827 0.81 NPSR1 (0.46) KMT2AMEN1RAB9ANPC1ATM
SCHEMBL9603546 0.79 KMT2A (0.41) KMT2AMEN1RAB9ANPC1ATM
SCHEMBL10862964 0.76 NOS3 (0.48) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL14182349 0.72 KMT2A (0.50) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL1861757 0.72 RAB9A (0.55) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL11712255 0.72 RAB9A (0.55) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL10861598 0.71 KMT2A (0.43) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL4581966 0.70 KMT2A (0.57) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL10730622 0.69 MAPT (0.57) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL1023541 0.69 MEN1 (1.00) KMT2AMEN1RAB9ASMN1; SMN2LMNA

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
WO-1993016070-A1 3-(PYRIDYLAMINO)-2-(1H^_-TETRAZOL-5-YL)-ACRYLNITRILES AND A PROCESS FOR THE PREPARATION THEREOF CHINOIN GYÓGYSZER- ÉS VEGYÉSZETI TERMÉKEK GYÁRA RT. (HU) 1993-08-19 — — WO disclosed
EP-0174832-A2 Ethene derivatives MAY & BAKER LIMITED (GB) 1986-03-19 — — EP disclosed
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