SCHEMBL9201470

SCHEMBL9201470

COc1ccc(COC(=O)C2=C(CI)CS[C@H]3[C@H](NC(=O)/C(=N\OCF)c4nsc(NC(c5ccccc5)(c5ccccc5)c5ccccc5)n4)C(=O)N23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.39
▸ HSD17B10 Q99714 4/20 0.39
▸ NR1I2 O75469 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ PGR P06401 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PLCG1 P19174 1/20 0.38
▸ CTDSP1 Q9GZU7 2/20 0.38
▸ MAPT P10636 5/20 0.37
▸ ALB P02768 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ SLC22A6 Q4U2R8 1/20 0.37
▸ SLC22A8 Q8TCC7 1/20 0.37
▸ SLC22A11 Q9NSA0 1/20 0.37
▸ ABCC4 O15439 2/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ PKM P14618 2/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL9199967 0.95 TDP1 (0.39) TDP1HSD17B10NR1I2ALDH1A1PGR
SCHEMBL9367094 0.94 TDP1 (0.45) TDP1HSD17B10NR1I2ALDH1A1PGR
SCHEMBL9657484 0.90 MAPT (0.36) TDP1HSD17B10NR1I2ALDH1A1PGR
SCHEMBL9366169 0.89 KCNH2 (0.41) TDP1HSD17B10NR1I2ALDH1A1PGR
SCHEMBL9371576 0.89 TDP1 (0.45) TDP1HSD17B10NR1I2ALDH1A1PGR
SCHEMBL9658446 0.88 MAPT (0.36) TDP1HSD17B10NR1I2ALDH1A1PGR
SCHEMBL9077899 0.86 TDP1 (0.42) TDP1HSD17B10NR1I2ALDH1A1PGR
SCHEMBL9077900 0.86 TDP1 (0.42) TDP1HSD17B10NR1I2ALDH1A1PGR
SCHEMBL9366452 0.85 KCNH2 (0.39) TDP1HSD17B10NR1I2ALDH1A1PGR
SCHEMBL8988441 0.84 NR1I2 (0.52) TDP1HSD17B10NR1I2ALDH1A1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0287116-B1 Thiadiazolylacetamide cephem derivatives EISAI CO LTD (JP) 1995-03-15 — — EP disclosed
US-4929612-A ANTIBIOTICS, BACTERICIDES EISAI CO., LTD. (JP) 1990-05-29 — — US disclosed
EP-0287116-A2 Thiadiazolylacetamide cephem derivatives Eisai Co., Ltd. (JP) 1988-10-19 — — EP disclosed
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