SCHEMBL10731910

SCHEMBL10731910

OC(=S)Cc1c(Cl)cc2c(-c3ccccc3F)noc2c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 2/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HTR7 P34969 1/20 0.33
▸ DPP4 P27487 2/20 0.33
▸ NPC1 O15118 5/20 0.32
▸ RAB9A P51151 5/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ GLA P06280 1/20 0.31
▸ DHODH Q02127 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL10660755 0.79 GPBAR1 (0.40) GPBAR1PTGS1SMN1; SMN2LMNAALDH1A1
SCHEMBL11557039 0.76 PTGS1 (0.43) GPBAR1PTGS1SMN1; SMN2ALDH1A1HTR7
SCHEMBL10664107 0.75 STK17B (0.40) GPBAR1PTGS1SMN1; SMN2LMNAALDH1A1
SCHEMBL10657153 0.74 HIF1A (0.42) GPBAR1PTGS1ALDH1A1PKMKMT2A
SCHEMBL10659627 0.73 PTGS1 (0.41) GPBAR1PTGS1SMN1; SMN2ALDH1A1HTR7
SCHEMBL10728658 0.72 PLAU (0.36) GPBAR1PTGS1HTR7DPP4ADORA2A
SCHEMBL10510443 0.71 PTGS1 (0.37) GPBAR1PTGS1LMNAALDH1A1HTR7
SCHEMBL10734711 0.71 PTGS1 (0.35) GPBAR1PTGS1HTR7MAPK1MAPT
SCHEMBL11562701 0.71 PTGS1 (0.42) GPBAR1PTGS1SMN1; SMN2ALDH1A1HTR7
SCHEMBL10658344 0.71 PTGS1 (0.42) GPBAR1PTGS1SMN1; SMN2LMNAHTR7

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-4673746-A DIURETICS, HYPOTENSIVES HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1987-06-16 — — US claimed
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