SCHEMBL8613806

SCHEMBL8613806

CNN(NC)C(=O)Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.54
▸ NAPRT Q6XQN6 1/20 0.54
▸ KMT2A Q03164 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ EPHX2 P34913 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ EPHX1 P07099 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ CDK9 P50750 1/20 0.52
▸ CLK4 Q9HAZ1 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ MTOR P42345 2/20 0.51
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ ATM Q13315 1/20 0.49
▸ NOX1 Q9Y5S8 1/20 0.49
▸ MAPT P10636 3/20 0.47
▸ ALOX15 P16050 1/20 0.47

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
SCHEMBL11229513 0.82 MTOR (0.54) HSD17B10NAPRTKMT2AMEN1SMN1; SMN2
SCHEMBL8883711 0.80 NAPRT (0.61) HSD17B10NAPRTKMT2AMEN1SMN1; SMN2
SCHEMBL9638966 0.80 TSHR (0.67) HSD17B10KMT2AMEN1SMN1; SMN2EPHX1
Fenuron SCHEMBL9451054 0.78 TSHR (0.64) HSD17B10NAPRTKMT2AMEN1TSHR
Fenuron SCHEMBL62004 0.78 TSHR (0.64) HSD17B10NAPRTKMT2AMEN1TSHR
Fenuron SCHEMBL10806698 0.78 TSHR (0.64) HSD17B10NAPRTKMT2AMEN1TSHR
Fenuron SCHEMBL8366971 0.78 TSHR (0.64) HSD17B10NAPRTKMT2AMEN1TSHR
SCHEMBL7613102 0.77 MTOR (0.58) HSD17B10NAPRTKMT2AMEN1SMN1; SMN2
SCHEMBL11262218 0.76 MTOR (0.53) HSD17B10NAPRTKMT2AMEN1SMN1; SMN2
SCHEMBL23168327 0.75 MTOR (0.56) HSD17B10NAPRTKMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101585781-B Preparing method of N, N-dimethylbenzamide BEIJING YINGTAIJIAHE TECHNOLOGY CO LTD 2012-08-08 — — CN disclosed
CN-101585781-A Preparing method of N, N-dimethylbenzamide BEIJING YINGTAIJIAHE TECHNOLOG (CN) 2009-11-25 — — CN disclosed
EP-0594133-B1 Polythiol epoxy resin composition with extended working life AJINOMOTO KK (JP) 1998-05-06 — — EP disclosed
US-5430112-A Epoxy resin and polythiol composition AJINOMOTO CO., INC. (JP) 1995-07-04 — — US disclosed
EP-0594133-A2 Polythiol epoxy resin composition with extended working life Ajinomoto Co., Inc. (JP) 1994-04-27 — — EP disclosed
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