SCHEMBL31312429

SCHEMBL31312429

Cc1c(Br)ccnc1N1CCC(Oc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ SCN10A Q9Y5Y9 1/20 0.50
▸ TP53 P04637 1/20 0.46
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ EPHX2 P34913 1/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SCD O00767 2/20 0.40
▸ ACACB O00763 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.38
▸ AKT1 P31749 1/20 0.38

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
SCHEMBL5544461 0.74 MEN1 (0.61) MEN1KMT2ATP53SLC6A2SLC6A4
SCHEMBL28761513 0.74 CHRM4 (0.49) MEN1KMT2ASCN10ATP53SLC6A2
SCHEMBL20858622 0.72 SLC6A2 (0.69) MEN1KMT2ATP53SLC6A2SLC6A4
SCHEMBL13855665 0.72 MEN1 (0.59) MEN1KMT2ATP53SLC6A2SLC6A4
SCHEMBL5544454 0.72 TP53 (0.59) MEN1KMT2ASCN10ATP53SLC6A2
SCHEMBL12603866 0.71 MEN1 (0.48) MEN1KMT2ASCN10ATP53SLC6A2
SCHEMBL2006866 0.71 MLNR (0.52) SLC6A2SLC6A4SLC6A3SCD
SCHEMBL15442454 0.71 KDM4E (0.57) MEN1KMT2ASCN10ATP53SLC6A2
SCHEMBL2096022 0.71 ADRB2 (0.49) MEN1KMT2ASCN10ATP53SLC6A2
SCHEMBL2096017 0.71 ADRB2 (0.49) MEN1KMT2ASCN10ATP53SLC6A2

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
WO-2024263860-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2024-12-26 — — WO disclosed
Send feedback