SCHEMBL10490083

SCHEMBL10490083

C/C=C\C1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)/C(=N\OC(c3ccccc3)(c3ccccc3)c3ccccc3)c3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)[C@@H]2SC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.42
▸ MAPT P10636 4/20 0.42
▸ APAF1 O14727 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ APEX1 P27695 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PLCG1 P19174 1/20 0.42
▸ ABCC2 Q92887 1/20 0.42
▸ SIRT5 Q9NXA8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ FAP Q12884 1/20 0.42
▸ PSMD14 O00487 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ NR1I2 O75469 5/20 0.41
▸ PPARG P37231 2/20 0.41
▸ PGR P06401 2/20 0.41

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
SCHEMBL10490080 1.00 TDP1 (0.42) TDP1MAPTAPAF1ALDH1A1APEX1
SCHEMBL5823403 0.93 TDP1 (0.50) TDP1MAPTAPAF1ALDH1A1APEX1
SCHEMBL9667985 0.92 TDP1 (0.42) TDP1MAPTAPAF1ALDH1A1APEX1
SCHEMBL9667991 0.92 TDP1 (0.42) TDP1MAPTAPAF1ALDH1A1APEX1
SCHEMBL9667500 0.92 TDP1 (0.42) TDP1MAPTAPAF1ALDH1A1APEX1
SCHEMBL9667504 0.92 TDP1 (0.42) TDP1MAPTAPAF1ALDH1A1APEX1
SCHEMBL10490111 0.91 MAPT (0.43) TDP1MAPTAPAF1ALDH1A1APEX1
SCHEMBL10490112 0.91 MAPT (0.43) TDP1MAPTAPAF1ALDH1A1APEX1
SCHEMBL10798035 0.91 MAPT (0.43) TDP1MAPTAPAF1ALDH1A1APEX1
SCHEMBL10798039 0.91 MAPT (0.43) TDP1MAPTAPAF1ALDH1A1APEX1

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-4874856-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1989-10-17 — — US disclosed
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