SCHEMBL31344595

SCHEMBL31344595

CC(=O)Nc1ccc(N(C(N)=O)c2cccc(C(F)(F)F)c2)c(-c2nnn[nH]2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
KIF11 P52732 1/20 0.38
POLB P06746 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DDR2 Q16832 1/20 0.36
KDR P35968 3/20 0.36
KIT P10721 2/20 0.36
MAPK13 O15264 1/20 0.36
LYN P07948 1/20 0.36
BRAF P15056 1/20 0.36
PDGFRA P16234 1/20 0.36

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
SCHEMBL6776624 1.00 MPO (0.39) MPORXFP1KIF11POLBKDM4E
SCHEMBL6772842 0.89 KCNK3 (0.46) MPORXFP1POLBKDM4EDDR2
SCHEMBL31344596 0.85 RORC (0.35) KDRKITGAAAHRHSD17B10
SCHEMBL6776081 0.85 RORC (0.35) KDRKITGAAAHRHSD17B10
SCHEMBL31337247 0.84 CHEK2 (0.36)
SCHEMBL31337191 0.84 GPR35 (0.41) MPORXFP1KDM4EALDH1A1HTT
SCHEMBL6772436 0.84 GPR35 (0.41) MPORXFP1KDM4EALDH1A1HTT
SCHEMBL31337135 0.84 GPR35 (0.34) HTTSMN1; SMN2KDRGAAAHR
SCHEMBL6782022 0.84 GPR35 (0.34) HTTSMN1; SMN2KDRGAAAHR
SCHEMBL6775914 0.83 KIF11 (0.37) KIF11KDRKITLYNFYN

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
CN-119564679-A Combination therapy for cancer 斯坎丁肿瘤公司 2025-03-07 CN disclosed