SCHEMBL9580681

SCHEMBL9580681

C=CC=CC(=O)N(c1ccccc1Br)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 8/20 0.37
LMNA P02545 3/20 0.35
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSD11B1 P28845 1/20 0.31
CHRM2 P08172 3/20 0.30
CHRM3 P20309 3/20 0.30
MAPT P10636 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
SCHEMBL27140352 0.77 LMNA (0.42) TRPM8LMNAALDH1A1SMN1; SMN2SIGMAR1
SCHEMBL23795439 0.72 LMNA (0.49) TRPM8LMNAALDH1A1SMN1; SMN2ATM
SCHEMBL5462561 0.72 HSD11B1 (0.31) HSD11B1
SCHEMBL17494477 0.69 LMNA (0.35) TRPM8LMNAALDH1A1SMN1; SMN2
SCHEMBL17494476 0.69 LMNA (0.35) TRPM8LMNAALDH1A1SMN1; SMN2
SCHEMBL28133297 0.68 LMNA (0.68) TRPM8LMNAALDH1A1SMN1; SMN2ATM
SCHEMBL31138348 0.67 LMNA (0.47) TRPM8LMNAALDH1A1SMN1; SMN2ATM
Hydrochloric Acid SCHEMBL4997661 0.67 SLC6A4 (0.41) LMNASIGMAR1
SCHEMBL24138156 0.67 LMNA (0.47) TRPM8LMNAALDH1A1SMN1; SMN2ATM
SCHEMBL28661661 0.64 ESR1 (0.33) HTR2AHTR2CHTR2BATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5202356-A Insecticides, miticides THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-13 US disclosed