SCHEMBL11280645

SCHEMBL11280645

CN(C)C=CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(c3ccccc3)(c3ccccc3)c3ccccc3)C2SC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.41
▸ MAPT P10636 6/20 0.41
▸ HSD17B10 Q99714 5/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ TDP1 Q9NUW8 4/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ SLC15A2 Q16348 2/20 0.41
▸ BLM P54132 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ NR1I2 O75469 2/20 0.39

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
SCHEMBL11280641 1.00 ALDH1A1 (0.41) ALDH1A1MAPTHSD17B10KMT2ATDP1
SCHEMBL10972628 0.88 PTGS1 (0.41) ALDH1A1MAPTHSD17B10KMT2ATDP1
SCHEMBL10972624 0.88 PTGS1 (0.41) ALDH1A1MAPTHSD17B10KMT2ATDP1
SCHEMBL11279241 0.86 ALDH1A1 (0.45) ALDH1A1MAPTHSD17B10KMT2ATDP1
SCHEMBL11279246 0.86 ALDH1A1 (0.45) ALDH1A1MAPTHSD17B10KMT2ATDP1
SCHEMBL10848353 0.85 ALDH1A1 (0.43) ALDH1A1MAPTHSD17B10KMT2ATDP1
SCHEMBL10848347 0.85 ALDH1A1 (0.43) ALDH1A1MAPTHSD17B10KMT2ATDP1
SCHEMBL10950459 0.85 DRD2 (0.39) ALDH1A1MAPTHSD17B10KMT2ATDP1
SCHEMBL10948895 0.85 DRD2 (0.39) ALDH1A1MAPTHSD17B10KMT2ATDP1
SCHEMBL10948890 0.85 DRD2 (0.39) ALDH1A1MAPTHSD17B10KMT2ATDP1

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-4307233-A ANTIBACTERIAL AGENTS RHONE-POULENC INDUSTRIES (FR) 1981-12-22 — — US claimed
US-4365062-A BACTERICIDAL ANTIBIOTICS RHONE-POULENC INDUSTRIES (FR) 1982-12-21 — — US disclosed
US-4307233-A ANTIBACTERIAL AGENTS RHONE-POULENC INDUSTRIES (FR) 1981-12-22 — — US disclosed
US-4307230-A ANTIBIOTICS RHONE-POULENC INDUSTRIES (FR) 1981-12-22 — — US disclosed
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