SCHEMBL29329939

SCHEMBL29329939

N#Cc1cc(OCCc2ccc(C(F)(F)F)nc2)cc(Nc2ccc3c(F)c[nH]c3c2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.38
MET P08581 1/20 0.33
CSF1R P07333 3/20 0.33
KIT P10721 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.32
CDK1 P06493 1/20 0.32
LCK P06239 1/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
PDGFRB P09619 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CHRM1 P11229 1/20 0.32
PDGFRA P16234 1/20 0.32
FLT1 P17948 1/20 0.32
DRD1 P21728 1/20 0.32
TBXA2R P21731 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL30938642 0.89 SIRT2 (0.35) APPMETKDRCHRNA7TRPA1
SCHEMBL29330952 0.89 SIRT2 (0.35) APPMETKDRCHRNA7TRPA1
SCHEMBL30938633 0.89 SIRT2 (0.35) APPMETKDRCHRNA7TRPA1
SCHEMBL29330500 0.83 P2RY14 (0.35) APPKCNH2CHRNA7TRPA1
SCHEMBL29330495 0.82 IMPDH2 (0.38) METPDGFRBKDR
SCHEMBL29330834 0.82 MAP3K8 (0.36) APPMETCSF1RKITPRKCQ
SCHEMBL29331093 0.82 KDM4E (0.35) APPMETPRKCQ
SCHEMBL29328811 0.82 CDK2 (0.32) METNTRK3TRPA1
SCHEMBL29333406 0.80 SIRT2 (0.35) APPMETCHRNA7
SCHEMBL29330842 0.80 IMPDH2 (0.36) APPMETCYP3A4HTR1ASLC6A4

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-2024151919-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2024-07-18 WO disclosed