SCHEMBL30450232

SCHEMBL30450232

CNC(=O)N[C@H]1CCc2c(C(=O)Nc3ccc(F)c(F)c3)cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
AKR1C3 P42330 1/20 0.39
NFKB1 P19838 1/20 0.38
HTT P42858 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
PDE10A Q9Y233 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
FPR1 P21462 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
SCHEMBL20509884 1.00 TP53 (0.44) TP53RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL19973584 0.94 KMT2A (0.46) TP53RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL19973585 0.94 KMT2A (0.46) TP53RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL20511808 0.88 TP53 (0.49) TP53RAB9ANPC1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL26597540 0.87 TP53 (0.48) TP53RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL19973612 0.83 TRPV1 (0.44) TP53RAB9ANPC1SMN1; SMN2AKR1C3
SCHEMBL19973902 0.83 TRPV1 (0.44) TP53RAB9ANPC1SMN1; SMN2AKR1C3
SCHEMBL20511799 0.82 CYP1A2 (0.42) TP53RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL26597461 0.82 CYP1A2 (0.42) TP53RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL19973509 0.82 TP53 (0.47) TP53RAB9ANPC1SMN1; SMN2KMT2A

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-116472063-A Targeted conjugates comprising modified siRNAs 阿布特斯生物制药公司 2023-07-21 CN disclosed