SCHEMBL9367558

SCHEMBL9367558

CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)OCc3ccc(OC)cc3)=C(/C=C/CI)CS[C@@H]12)c1nsc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ USP2 O75604 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ FAP Q12884 1/20 0.41
▸ TDP1 Q9NUW8 6/20 0.40
▸ HSD17B10 Q99714 4/20 0.40
▸ NR1I2 O75469 3/20 0.40
▸ PGR P06401 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PTGS1 P23219 1/20 0.39
▸ ALB P02768 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ SLC22A6 Q4U2R8 1/20 0.38
▸ SLC22A8 Q8TCC7 1/20 0.38
▸ SLC22A11 Q9NSA0 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ PKM P14618 2/20 0.38

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
SCHEMBL9366452 0.95 KCNH2 (0.39) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL9657484 0.94 MAPT (0.36) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL9366127 0.94 MAPT (0.41) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL9658472 0.94 MAPT (0.36) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL9664526 0.93 MAPT (0.36) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL9079567 0.92 MAPT (0.42) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL9079565 0.92 MAPT (0.42) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL8181653 0.90 MAPT (0.48) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL8181656 0.90 MAPT (0.48) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL9099198 0.90 MAPT (0.40) MAPTALDH1A1USP2CYP3A4HPGD

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
EP-0329785-B1 CEPHALOSPORIN DERIVATIVES EISAI CO LTD (JP) 1994-11-30 — — EP disclosed
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