SCHEMBL10906144

SCHEMBL10906144

CNN(NC)N(CCC(N)=O)C(=O)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NOX1 Q9Y5S8 1/20 0.40
▸ MTOR P42345 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ NAPRT Q6XQN6 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ ICMT O60725 1/20 0.38
▸ ALB P02768 1/20 0.38
▸ KDM4E B2RXH2 1/20 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
SCHEMBL10906147 0.74 KMT2A (0.43) KMT2AMEN1ALDH1A1NPSR1MTOR
SCHEMBL10905444 0.74 KMT2A (0.46) KMT2AALDH1A1L3MBTL1HSD17B10KDM1A
SCHEMBL8613806 0.69 HSD17B10 (0.54) KMT2AMEN1ALDH1A1NPSR1NPC1
SCHEMBL3069989 0.69 ALDH1A1 (0.69) ALDH1A1NPSR1
SCHEMBL3068051 0.69 CASR (0.47) KMT2AALDH1A1NPSR1NPC1RAB9A
SCHEMBL10905465 0.68 LTA4H (0.50) KMT2AMEN1ALDH1A1NPSR1MTOR
SCHEMBL11229513 0.68 MTOR (0.54) KMT2AMEN1ALDH1A1NPSR1NPC1
SCHEMBL3051984 0.68 HDAC1 (0.55) KMT2AMEN1ALDH1A1NPSR1NPC1
SCHEMBL3353284 0.68 L3MBTL1 (0.72) ALDH1A1L3MBTL1KDM1AMAPTKDM4E
Fenuron SCHEMBL28146684 0.68 TSHR (0.58) KMT2AMEN1MTORHSD17B10NAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4633014-A ANTIARRHYTHMIA AGENTS INSTITUT ORGANICHESKOGO SINTEZA AKADEMII NAUK LATVIISKOI SSR 1986-12-30 — — US disclosed
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