SCHEMBL18831730

SCHEMBL18831730

COCc1c(C)cccc1N(N)C(=O)N(C)N

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.34
TSHR P16473 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
GAA P10253 1/20 0.32
HSD17B1 P14061 2/20 0.31
HSD17B2 P37059 2/20 0.31
FFAR1 O14842 1/20 0.30
CD38 P28907 1/20 0.30

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
Methane SCHEMBL23056763 0.99 PTPN1 (0.33) PTPN1TSHRMEN1KMT2ATP53
SCHEMBL18831299 0.84
SCHEMBL20686710 0.84 TP53 (0.36) TP53
SCHEMBL20205507 0.84 MTNR1A (0.35) TSHRALDH1A1MAPK1SMN1; SMN2CD38
SCHEMBL18831287 0.84 CD38 (0.32) TSHRMEN1KMT2AALDH1A1MAPK1
SCHEMBL18831572 0.82 LMNA (0.33) TSHRMEN1KMT2AALDH1A1MAPK1
SCHEMBL21317984 0.82 NFE2L2 (0.30)
SCHEMBL20205535 0.82 KDM4E (0.31) KDM4EALDH1A1
SCHEMBL20902011 0.82 MEN1 (0.38) PTPN1TSHRMEN1KMT2ATP53
SCHEMBL20205937 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4023634-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2022-07-06 EP disclosed
EP-3544973-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PEST CONTROL AGENTS SUMITOMO CHEMICAL CO (JP) 2021-07-28 EP disclosed
EP-3020715-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2021-06-16 EP disclosed
EP-3059235-B1 TETRAZOLINONE DERIVATIVES AND THEIR USE FOR CONTROLLING PESTS SUMITOMO CHEMICAL CO (JP) 2020-10-28 EP disclosed
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
EP-2990404-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-05-27 EP disclosed
EP-3029030-B1 TETRAZOLINONE COMPOUND, AND USE THEREFOR SUMITOMO CHEMICAL CO (JP) 2019-09-04 EP disclosed
WO-2018097318-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PEST CONTROL AGENTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-31 WO disclosed
EP-2900655-B1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2017-05-10 EP disclosed