SCHEMBL9620586

SCHEMBL9620586

CCCCn1nnn(C(=O)N(c2ccccc2)C(C)C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC9A1 P19634 1/20 0.35
HCAR3 P49019 1/20 0.35
TACR1 P25103 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
MLYCD O95822 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34

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
SCHEMBL9620447 0.93 ALDH1A1 (0.43) ALDH1A1LMNATP53SMN1; SMN2MEN1
SCHEMBL9620371 0.87 ALDH1A1 (0.46) ALDH1A1LMNATP53SMN1; SMN2MEN1
SCHEMBL8690403 0.86 ALDH1A1 (0.49) ALDH1A1LMNATP53SMN1; SMN2MEN1
SCHEMBL7968296 0.83 ALDH1A1 (0.40) ALDH1A1LMNATP53SMN1; SMN2MEN1
SCHEMBL8550089 0.83 ALDH1A1 (0.42) ALDH1A1LMNATP53SMN1; SMN2MEN1
SCHEMBL8546039 0.82 ALDH1A1 (0.43) ALDH1A1LMNATP53SMN1; SMN2MEN1
SCHEMBL8346740 0.82 ALDH1A1 (0.43) ALDH1A1LMNATP53SMN1; SMN2MEN1
SCHEMBL8550504 0.81 ALDH1A1 (0.43) ALDH1A1LMNATP53SMN1; SMN2MEN1
SCHEMBL7977970 0.81 ALDH1A1 (0.42) ALDH1A1LMNATP53SMN1; SMN2MEN1
SCHEMBL9620432 0.80 ALDH1A1 (0.45) ALDH1A1LMNATP53SMN1; SMN2MEN1

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