SCHEMBL28746573

SCHEMBL28746573

CCCC(=O)N(C)c1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 5/20 0.47
TP53 P04637 1/20 0.46
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
RIPK1 Q13546 1/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PTBP1 P26599 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
OPRM1 P35372 1/20 0.40

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
SCHEMBL4144101 0.88 LTB4R2 (0.52) LTB4R2TP53NPC1ALDH1A1HTT
SCHEMBL11351438 0.83 GPBAR1 (0.41) LTB4R2RIPK1ALDH1A1
SCHEMBL31606583 0.82 GPBAR1 (0.40) LTB4R2RIPK1ALDH1A1
SCHEMBL23222221 0.82 ALDH1A1 (0.51) TP53LMNANPC1ALDH1A1HTT
SCHEMBL2125940 0.82 GPBAR1 (0.40) LTB4R2RIPK1ALDH1A1
SCHEMBL15979067 0.81 HTR3E (0.53) LTB4R2TP53KDM4ENPC1ALDH1A1
SCHEMBL28746511 0.81 TP53 (0.46) TP53LMNAKDM4EALDH1A1
SCHEMBL28746541 0.81 EGFR (0.48) TP53RIPK1LMNAALDH1A1
SCHEMBL967785 0.80 POLQ (0.50) LTB4R2TP53ALDH1A1
SCHEMBL28746503 0.80 FOLH1 (0.49) TP53KDM4E

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-114539121-A A novel, photo-promoted process for the preparation of sulfonates and sulfonamides from sulfonyl chlorides 天津师范大学 2022-05-27 CN disclosed