SCHEMBL29976212

SCHEMBL29976212

C[S+]([O-])c1nc(-n2ccccc2=O)cc(C(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.39
PKM P14618 1/20 0.37
ALPL P05186 2/20 0.35
ALPI P09923 2/20 0.35
F10 P00742 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
GAA P10253 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
HPGD P15428 2/20 0.33
S1PR4 O95977 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
S1PR1 P21453 1/20 0.33

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
SCHEMBL29976519 0.77 PKM (0.43) HRH4PKMALPLALPIF10
SCHEMBL29976300 0.76 SDHB (0.56) MEN1KMT2AALDH1A1POLBNPSR1
SCHEMBL18049941 0.72 LOXL2 (0.43) HRH4PKMALPLALPIPOLB
SCHEMBL18050118 0.72 ALPL (0.43) HRH4PKMALPLALPIMEN1
Hydrochloric Acid SCHEMBL18050080 0.71 LOXL2 (0.43) HRH4PKMALPLALPIPOLB
SCHEMBL18072284 0.69 PKM (0.39) HRH4PKMALPLALPIMEN1
SCHEMBL29976432 0.68 NPSR1 (0.55) MEN1KMT2ANPSR1HPGDLMNA
SCHEMBL19805966 0.68 NPSR1 (0.55) MEN1KMT2ANPSR1HPGDLMNA
SCHEMBL19805804 0.67 SDHB (0.48) DRD2DRD3SDHB
SCHEMBL1041295 0.65 F10 (0.42) F10CYP3A4CYP2C9

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-110023292-B Apoptosis inhibitors 北京生命科学研究所 2022-10-04 CN disclosed