SCHEMBL28808736

SCHEMBL28808736

CCC(Sc1ccc(F)cc1)Sc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ SERPINH1 P50454 1/20 0.36
▸ HTT P42858 3/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32

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
SCHEMBL27944941 0.79 MAPT (0.41) MEN1KMT2AATMGAAHTT
SCHEMBL12112006 0.77 TSHR (0.44) MEN1KMT2AATMGAASERPINH1
SCHEMBL27925606 0.77 TSHR (0.47) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL4960257 0.77 ESR1 (0.46) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL27944855 0.77 MAOA (0.44) MEN1KMT2AHTTRAB9ASMN1; SMN2
SCHEMBL5174689 0.76 ALDH1A1 (0.42) GAAHTTSMN1; SMN2TDP1LMNA
SCHEMBL28806285 0.76 SLC6A4 (0.39) MEN1KMT2AHTTSMN1; SMN2CYP1A2
SCHEMBL1368088 0.73 MEN1 (0.40) MEN1KMT2AATMGAASERPINH1
SCHEMBL14117471 0.72 HTT (0.70) MEN1KMT2AATMGAAHTT
SCHEMBL9912709 0.72 NPC1 (0.40) MEN1KMT2AATMGAASERPINH1

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-103420880-A Derivatives of pesticide nereistoxin and preparation method of derivatives GAUNGXI TIANYUAN BIOCHEMISTRY 2013-12-04 — — CN disclosed
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