SCHEMBL14641047

SCHEMBL14641047

CCC[n+]1ccc(CCS)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HTT P42858 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ACHE P22303 3/20 0.36
▸ CHKA P35790 3/20 0.35
▸ CHRNA7 P36544 2/20 0.34
▸ CHRNA10 Q9GZZ6 2/20 0.34
▸ CHRNA9 Q9UGM1 2/20 0.34
▸ MAOA P21397 1/20 0.34

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
SCHEMBL5305122 0.84 LPL (0.41) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL5288762 0.80 TP53 (0.48) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL5288200 0.79 TP53 (0.46) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL5309308 0.78 TP53 (0.52) MEN1TP53CYP1A2CYP2D6MAPT
Bromide SCHEMBL19741468 0.78 KMT2A (0.42) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL5296656 0.77 TP53 (0.55) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL5286951 0.77 TP53 (0.55) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL5290239 0.77 TP53 (0.55) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL5301137 0.77 TP53 (0.55) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL5296534 0.77 TP53 (0.55) MEN1TP53CYP1A2CYP2D6MAPT

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
US-7169583-B2 Method for the detection of gene with DNA micro-array FUJI PHOTO FILM CO., LTD. (JP) 2007-01-30 — — US disclosed
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