SCHEMBL10974771

SCHEMBL10974771

O=C=Cc1c(Cl)ccc2sc(=O)n(N3CCN(CCO)CC3)c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ DUSP3 P51452 1/20 0.34
▸ PTPN5 P54829 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ BCL2A1 Q16548 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ DRD2 P14416 2/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ SIGMAR1 Q99720 2/20 0.32
▸ TMEM97 Q5BJF2 3/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ DRD4 P21917 1/20 0.30
▸ NSD2 O96028 1/20 0.30
▸ PABPC1 P11940 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
SCHEMBL8894966 0.89 SIGMAR1 (0.35) ALDH1A1MAPTTSHRHTTDRD2
SCHEMBL8903406 0.75 ACHE (0.32) —
SCHEMBL250168 0.66 HSD17B10 (0.42) HSD17B10ALDH1A1HPGDMAPTTSHR
SCHEMBL27672561 0.65 HPGD (0.35) ALDH1A1HPGDMAPTTSHRMAPK1
SCHEMBL27603207 0.58 TMEM97 (0.51) HSD17B10ALDH1A1HPGDMAPTTSHR
Tiaramide SCHEMBL29376518 0.57 NPY5R (0.58) TSHRTMEM97
SCHEMBL5249019 0.55 KMT2A (0.66) ALDH1A1MAPTMAPK1HTTMEN1
SCHEMBL2087116 0.55 ALDH1A1 (0.46) HSD17B10ALDH1A1HPGDMAPTTSHR
SCHEMBL235856 0.53 — —
SCHEMBL3971866 0.53 ALDH1A1 (0.65) HSD17B10ALDH1A1HPGDMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58052281-A — — None — — JP disclosed
JP-57118576-A — — None — — JP disclosed
JP-57165381-A — — None — — JP disclosed
JP-60228468-A — — None — — JP disclosed
JP-56020582-A — — None — — JP disclosed
JP-55100373-A — — None — — JP disclosed
JP-55000345-A — — None — — JP disclosed
JP-S60228468-A 1,2-BIS(2-OXO-3-BENZOTHIAZOLINYL)ETHANONE AND PREPARATION THEREOF ARAKAWA CHIYOUTAROU KK 1985-11-13 — — JP disclosed
JP-S5852281-A BENZOTHIAZOLINONE DERIVATIVE AND ITS PREPARATION SHIONO KORYO KK 1983-03-28 — — JP disclosed
JP-S57165381-A NOVEL PIPERAZING DERIVATIVE AND ITS PREPARATION KANO SHINZO 1982-10-12 — — JP disclosed
JP-S57118576-A PREPARATION OF 5-CHLORO-3-(4-(2-HYDROXYETHYL)-1- PIPERAZINYL)-CARBONYLMETHYL-2-BENZOTHIAZOLINONE OR SALT THEREOF HAMARI YAKUHIN KOGYO KK 1982-07-23 — — JP disclosed
JP-S5620582-A NOVEL 2-BENZOTHIAZOLINONE DERIVATIVE AND ITS PREPARATION HAMARI YAKUHIN KOGYO KK 1981-02-26 — — JP disclosed
JP-S55100373-A PREPARATION OF ACID AMIDE SHIONO KORYO KK 1980-07-31 — — JP disclosed
JP-S55345-A 2-IMINOBENZTHIAZOLINE DERIVATIVE IWAKI SEIYAKU KK 1980-01-05 — — JP disclosed
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