SCHEMBL9877794

SCHEMBL9877794

C(=C\c1cccs1)\SC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 1/20 0.43
▸ RAB9A P51151 4/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ ALOX5 P09917 2/20 0.36
▸ PTGS1 P23219 2/20 0.36
▸ PTGS2 P35354 2/20 0.36
▸ ABCG2 Q9UNQ0 2/20 0.36
▸ GRM4 Q14833 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ CYP1A1 P04798 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP1B1 Q16678 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 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
SCHEMBL9877796 1.00 HCAR2 (0.43) HCAR2RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL29144622 0.73 HCAR2 (0.50) HCAR2RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL3331881 0.70 KIF11 (0.33) RAB9ANPC1ALDH1A1KIF11
SCHEMBL3331883 0.70 KIF11 (0.33) RAB9ANPC1ALDH1A1KIF11
SCHEMBL29532424 0.70 — —
SCHEMBL12018827 0.70 HCAR2 (0.60) HCAR2RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL1801877 0.70 HCAR2 (0.60) HCAR2RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL3089611 0.70 HCAR2 (0.60) HCAR2RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL9624192 0.68 NPC1 (0.54) RAB9ANPC1PTGS1PTGS2GRM4
SCHEMBL9624194 0.68 NPC1 (0.54) RAB9ANPC1PTGS1PTGS2GRM4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985555-A MICROBIOCIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-01-15 — — US disclosed
US-4871730-A MICROBIOCIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-10-03 — — US disclosed
EP-0268307-A2 New starting compounds for cephem compounds and processes for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-05-25 — — EP disclosed
EP-0133678-A2 New cephem compounds, processes for preparation thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-03-06 — — EP disclosed
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