SCHEMBL9799010

SCHEMBL9799010

O=C=Nc1cccc(CCCc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.41
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
HTR2A P28223 1/20 0.40
MIF P14174 2/20 0.40
IGF1R P08069 1/20 0.40
ALOX15 P16050 1/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
MAPK1 P28482 2/20 0.39
HDAC3 O15379 1/20 0.39
ADRA1A P35348 1/20 0.39
HDAC4 P56524 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL6805641 0.87 CYP3A4 (0.47) CYP3A4TSHRMAOAMAOBMAPK1
SCHEMBL11608082 0.85 LPL (0.41) SIGMAR1CYP3A4TSHR
SCHEMBL27320613 0.83 LPL (0.47) TDP1
SCHEMBL21391591 0.83 MIF (0.41) CYP3A4TSHRMIFMAPK1TDP1
SCHEMBL1191679 0.82 CYP3A4 (0.57) CYP3A4TSHRMAPK1TDP1
SCHEMBL5495096 0.82 CYP4F2 (0.44) CYP3A4TSHRMAPK1TDP1
SCHEMBL11723461 0.82 MAPK1 (0.39) SIGMAR1CYP3A4TSHRMAPK1HDAC6
SCHEMBL10811084 0.82 DRD2 (0.48) MAOAMAOB
SCHEMBL11205981 0.81 CYP3A4 (0.36) SIGMAR1CYP3A4TSHRMAPK1TDP1
SCHEMBL11556928 0.81 MAPK1 (0.43) SIGMAR1CYP3A4TSHRMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5015762-A Alkoxy substituted ureas as herbicides BASF AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed
EP-0041145-B1 ARALKYL-PHENYL UREAS AND THEIR HERBICIDAL COMPOSITIONS BASF Aktiengesellschaft (DE) 1984-12-19 EP disclosed
US-4437880-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-03-20 US disclosed
EP-0041613-B1 DERIVATIVES OF ARALKYLANILINE AND HERBICIDES CONTAINING THESE COMPOUNDS BASF Aktiengesellschaft (DE) 1984-02-01 EP disclosed
US-4422871-A Aralkylphenylureas and herbicides containing these BASF AKTIENGESELLSCHAFT (DE) 1983-12-27 US disclosed
US-4405358-A Aralkylaniline derivatives, and herbicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1983-09-20 US disclosed
EP-0040859-B1 N'-PHENYL-N-METHYLUREA DERIVATIVES, THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-08-03 EP disclosed
EP-0041613-A1 Derivatives of aralkylaniline and herbicides containing these compounds BASF Aktiengesellschaft (DE) 1981-12-16 EP disclosed
EP-0041145-A2 Aralkyl-phenyl ureas and their herbicidal compositions BASF Aktiengesellschaft (DE) 1981-12-09 EP disclosed
EP-0040859-A1 N'-phenyl-N-methylurea derivatives, their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-12-02 EP disclosed