SCHEMBL10943901

SCHEMBL10943901

CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(C=CN(C)C)CSC12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ FAP Q12884 1/20 0.46
▸ NR1I2 O75469 5/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ PTGS1 P23219 2/20 0.45
▸ ABCB11 O95342 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ ALB P02768 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ SLC22A6 Q4U2R8 1/20 0.44
▸ SLC22A8 Q8TCC7 1/20 0.44
▸ SLC22A11 Q9NSA0 1/20 0.44
▸ PGR P06401 2/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 6/20 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
SCHEMBL10943896 1.00 MAPT (0.46) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL11279782 0.94 TDP1 (0.43) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL11279787 0.94 TDP1 (0.43) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL9662765 0.92 MAPT (0.48) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL11288735 0.92 MAPT (0.46) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL9662774 0.92 MAPT (0.48) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL11288738 0.92 MAPT (0.46) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL9666794 0.91 MAPT (0.47) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL9661346 0.91 MAPT (0.47) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL10793761 0.91 NR1I2 (0.47) 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 5 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-4554350-A 3-(1-Halo-2-oxoethyl)cephalosporin intermediates RHONE-POULENC SANTE (FR) 1985-11-19 — — US disclosed
US-4365062-A BACTERICIDAL ANTIBIOTICS RHONE-POULENC INDUSTRIES (FR) 1982-12-21 — — US disclosed
US-4307230-A ANTIBIOTICS RHONE-POULENC INDUSTRIES (FR) 1981-12-22 — — US disclosed
US-4307233-A ANTIBACTERIAL AGENTS RHONE-POULENC INDUSTRIES (FR) 1981-12-22 — — US disclosed
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