SCHEMBL29279571

SCHEMBL29279571

CCCCSc1c(OC)cc(CCOC(N)=O)c(Br)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 3/20 0.37
▸ CA1 P00915 3/20 0.35
▸ CA2 P00918 3/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.35
▸ HTT P42858 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ NSD2 O96028 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALOX5 P09917 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ APOBEC3A P31941 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ NCOA3 Q9Y6Q9 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
SCHEMBL29279562 0.88 MAPT (0.39) MAPTLMNANPSR1HTTGAA
SCHEMBL27002000 0.83 HTR2A (0.48) MAPT
SCHEMBL27002004 0.80 SMN1; SMN2 (0.46) MAPTLMNACA1CA2NPSR1
SCHEMBL29279546 0.80 MET (0.39) MAPTALOX5AR
SCHEMBL29279529 0.76 LMNA (0.43) LMNANPSR1HTTNSD2KMT2A
SCHEMBL25236494 0.72 HTR2A (0.59) —
SCHEMBL29279556 0.71 TAAR1 (0.49) —
SCHEMBL29279518 0.71 MAPT (0.36) MAPTLMNANPSR1HTTGAA
SCHEMBL27002129 0.69 HTR2A (0.47) MAPT
SCHEMBL27002165 0.69 KMT2A (0.45) MAPTLMNANPSR1HTTGAA

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-117642379-A Phenylalkylamines and methods of making and using the same 吉尔伽美什制药公司 2024-03-01 — — CN disclosed
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