SCHEMBL9620258

SCHEMBL9620258

Cc1cccc(C)c1-n1nnn(C(=O)N(c2ccccc2)C(C)C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
TRPM8 Q7Z2W7 2/20 0.38
TSHR P16473 2/20 0.37
MLYCD O95822 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.34
HTR2C P28335 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL9620373 0.87 SMN1; SMN2 (0.43) ALDH1A1TP53LMNASMN1; SMN2GLA
SCHEMBL12114753 0.86 ALDH1A1 (0.40) ALDH1A1TP53LMNASMN1; SMN2GLA
SCHEMBL12115090 0.86 ALDH1A1 (0.43) ALDH1A1TP53LMNASMN1; SMN2TRPM8
SCHEMBL4698993 0.84 ALDH1A1 (0.44) ALDH1A1TP53LMNASMN1; SMN2HTT
SCHEMBL9091824 0.82 GPBAR1 (0.37) ALDH1A1TP53LMNASMN1; SMN2TRPM8
SCHEMBL10871729 0.80 ALDH1A1 (0.45) ALDH1A1TP53LMNASMN1; SMN2TRPM8
SCHEMBL9620432 0.80 ALDH1A1 (0.45) ALDH1A1TP53LMNASMN1; SMN2TRPM8
SCHEMBL12114159 0.79 TRPM8 (0.36) ALDH1A1TP53LMNASMN1; SMN2TRPM8
SCHEMBL12114160 0.79 RAB9A (0.35) ALDH1A1TP53LMNASMN1; SMN2TRPM8
SCHEMBL12114598 0.79 ALDH1A1 (0.43) ALDH1A1TP53LMNASMN1; SMN2TRPM8

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 6 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-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