SCHEMBL4698993

SCHEMBL4698993

CC(C)N(C(=O)n1nnn(-c2ccccc2)c1=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
TP53 P04637 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.40
IDO1 P14902 2/20 0.39
TDO2 P48775 2/20 0.39
HTR2C P28335 1/20 0.39
MLYCD O95822 1/20 0.39
TSHR P16473 2/20 0.38
GAA P10253 1/20 0.38
TRPM8 Q7Z2W7 2/20 0.38
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL12114121 0.84 GPBAR1 (0.43) ALDH1A1SMN1; SMN2HTTTSHRGAA
SCHEMBL9620432 0.84 ALDH1A1 (0.45) ALDH1A1TP53LMNASMN1; SMN2HTR2C
SCHEMBL10871729 0.84 ALDH1A1 (0.45) ALDH1A1TP53LMNASMN1; SMN2HTR2C
SCHEMBL9620258 0.84 ALDH1A1 (0.40) ALDH1A1TP53LMNASMN1; SMN2HTT
SCHEMBL9620373 0.84 SMN1; SMN2 (0.43) ALDH1A1TP53LMNASMN1; SMN2HTT
SCHEMBL12114598 0.83 ALDH1A1 (0.43) ALDH1A1TP53LMNASMN1; SMN2MLYCD
SCHEMBL12115090 0.83 ALDH1A1 (0.43) ALDH1A1TP53LMNASMN1; SMN2HTR2C
SCHEMBL12114753 0.83 ALDH1A1 (0.40) ALDH1A1TP53LMNASMN1; SMN2HTT
SCHEMBL9620251 0.81 HSD11B1 (0.42) ALDH1A1TP53LMNASMN1; SMN2TSHR
SCHEMBL9620371 0.81 ALDH1A1 (0.46) ALDH1A1TP53LMNASMN1; SMN2MLYCD

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-0202929-B1 SUBSTITUTED TETRAZOLINONES UNIROYAL CHEMICAL COMPANY, Inc. (US) 1992-01-02 EP claimed
EP-0202929-A2 Substituted tetrazolinones UNIROYAL CHEMICAL COMPANY, Inc. (US) 1986-11-26 EP claimed
EP-0974587-B1 1-SUBSTITUTED 4-CARBAMOYL-1,2,4-TRIAZOL-5-ONE DERIVATIVES AND HERBICIDE HOKKO CHEM IND CO (JP) 2008-04-23 EP disclosed
US-6077814-A LOW PHYTOTOXICITY TO THE CROP PLANTS; SELECTIVE ACTIVITY HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2000-06-20 US disclosed
EP-0974587-A1 1-SUBSTITUTED 4-CARBAMOYL-1,2,4-TRIAZOL-5-ONE DERIVATIVES AND HERBICIDE HOKKO CHEMICAL INDUSTRY CO. LTD. (JP) 2000-01-26 EP disclosed
EP-0202929-B1 SUBSTITUTED TETRAZOLINONES UNIROYAL CHEMICAL COMPANY, Inc. (US) 1992-01-02 EP disclosed
US-4956469-A REACTION OF A TETRAZOLONE WITH AN ALKALI METAL CARBONATE FOLLOWED BY REACTION WITH A CARBAMOYL HALIDE, THESE ARE USEFUL AS HERBICIDES UNIROYAL CHEMICAL COMPANY, INC. (US) 1990-09-11 US disclosed
US-4826529-A PLANT GROWTH REGULATORS UNIROYAL CHEMICAL COMPANY, INC. (US) 1989-05-02 US disclosed
EP-0202929-A2 Substituted tetrazolinones UNIROYAL CHEMICAL COMPANY, Inc. (US) 1986-11-26 EP disclosed