SCHEMBL8864591

SCHEMBL8864591

CCCC1C(N=S(=O)=O)C1c1ccc(OC)cc1.CNC(=O)NC=O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.31
▸ TAS1R1 Q7RTX1 1/20 0.31
▸ PLK1 P53350 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ MTNR1A P48039 1/20 0.31
▸ MTNR1B P49286 1/20 0.31
▸ SAE1 Q9UBE0 1/20 0.30
▸ UBA2 Q9UBT2 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL8864541 0.89 HPGD (0.34) MAPTMEN1ALDH1A1KMT2ARAB9A
SCHEMBL8864420 0.76 ALDH1A1 (0.32) MAPTMEN1ALDH1A1TSHRKMT2A
SCHEMBL8864972 0.76 TACR1 (0.30) —
SCHEMBL8864447 0.74 PLK1 (0.33) MAPTMEN1ALDH1A1KMT2APLK1
SCHEMBL8864569 0.65 HPGD (0.34) MAPTKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL8864941 0.62 TDP1 (0.33) —
SCHEMBL8338913 0.61 SMN1; SMN2 (0.36) MEN1ALDH1A1TSHRKMT2ACYP1A2
SCHEMBL27582701 0.60 NPC1 (0.61) MEN1ALDH1A1KMT2ARAB9APKM
SCHEMBL12489242 0.59 POLB (0.56) MAPTMEN1ALDH1A1TSHRKMT2A
SCHEMBL19112883 0.59 POLB (0.56) MAPTMEN1ALDH1A1TSHRKMT2A

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-5633239-A CARDIOVASCULAR DISORDERS; HYPOGLYCEMIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-27 — — US disclosed
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