SCHEMBL7102687

SCHEMBL7102687

CCCCNC(=O)n1c(NC(=O)OCC)nc2ccccc21

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.83
ALDH1A1 P00352 1/20 0.83
ASAH1 Q13510 9/20 0.57
KDM4E B2RXH2 2/20 0.45
POLB P06746 2/20 0.45
GLA P06280 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
MCHR1 Q99705 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 2/20 0.42

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
Benomyl SCHEMBL8379451 0.91 TSHR (1.00) TSHRALDH1A1ASAH1KDM4EPOLB
Benomyl SCHEMBL15681 0.91 TSHR (1.00) TSHRALDH1A1ASAH1KDM4EPOLB
Benomyl SCHEMBL29379464 0.91 TSHR (1.00) TSHRALDH1A1ASAH1KDM4EPOLB
SCHEMBL205086 0.91 TSHR (0.76) TSHRALDH1A1ASAH1KDM4EPOLB
Benomyl SCHEMBL3962065 0.90 TSHR (0.98) TSHRALDH1A1ASAH1KDM4EPOLB
SCHEMBL202633 0.89 ALDH1A1 (0.80) TSHRALDH1A1ASAH1KDM4EPOLB
SCHEMBL11262017 0.89 TSHR (0.76) TSHRALDH1A1ASAH1KDM4EPOLB
SCHEMBL28886200 0.89 TSHR (0.79) TSHRALDH1A1ASAH1KDM4EPOLB
SCHEMBL6926893 0.89 TSHR (0.79) TSHRALDH1A1ASAH1KDM4EPOLB
Benomyl SCHEMBL27841656 0.88 TSHR (0.94) TSHRALDH1A1ASAH1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6436421-B1 Pesticide compositions ?ROHM AND HAAS COMPANY 2002-08-20 US claimed
CN-105764610-A Metal-containing condensation reaction catalyst, method for preparing the same, and composition comprising the same 道康宁公司 2016-07-13 CN disclosed
EP-0862856-B1 Pesticide compositions ROHM & HAAS (US) 2003-06-18 EP disclosed
EP-0938843-B1 Synergistic insecticidal compositions DOW AGROSCIENCES LLC (US) 2003-03-19 EP disclosed
US-6436421-B1 Pesticide compositions ?ROHM AND HAAS COMPANY 2002-08-20 US disclosed
US-6025386-A SUBSTITUTED N,N'-DIBENZOYL-N'-TERT-ALKYL-HYDRAZINES AND DIETHYL MALEATE WHICH EXHIBIT IMPROVED ACTIVITY AS INSECTICIDES WHEN COMPARED TO COMPOSITIONS WITHOUT DIETHYLMALEATE. ROHM AND HAAS COMPANY (US) 2000-02-15 US disclosed
US-6013671-A COMPRISING N,N'-DIBENZOYL-N'-TERT-ALKYL HYDRAZINES AND DIETHYL MALEATE; APPLYING TO THE SOIL OR FOLIAGE OF THE PLANTS ROHM AND HAAS COMPANY (US) 2000-01-11 US disclosed
EP-0938843-A1 Synergistic insecticidal compositions ROHM AND HAAS COMPANY (US) 1999-09-01 EP disclosed
EP-0862856-A1 Pesticide compositions ROHM AND HAAS COMPANY (US) 1998-09-09 EP disclosed
EP-0600629-B1 N-acetonylbenzamides and their use as fungicides ROHM & HAAS (US) 1996-05-08 EP disclosed
EP-0604019-B1 N-Acetonylbenzamides and their use as fungicides ROHM & HAAS (US) 1996-05-08 EP disclosed
EP-0604019-A1 N-Acetonylbenzamides and their use as fungicides ROHM AND HAAS COMPANY (US) 1994-06-29 EP disclosed
EP-0600629-A1 N-acetonylbenzamides and their use as fungicides ROHM AND HAAS COMPANY (US) 1994-06-08 EP disclosed
US-5304572-A N-acetonylbenzamides and their use as fungicides ROHM AND HAAS COMPANY (US) 1994-04-19 US disclosed
US-5254584-A Controlling phytopathogens ROHM AND HAAS COMPANY (US) 1993-10-19 US disclosed