SCHEMBL11290754

SCHEMBL11290754

C=CO/N=C(/C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CC=O)CSC12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ TDP1 Q9NUW8 8/20 0.43
▸ APEX1 P27695 3/20 0.43
▸ APAF1 O14727 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ PLCG1 P19174 1/20 0.43
▸ ABCC2 Q92887 1/20 0.43
▸ SIRT5 Q9NXA8 1/20 0.43
▸ PSMD14 O00487 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ NR1I2 O75469 5/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ MAPT P10636 4/20 0.41
▸ PPARG P37231 2/20 0.41
▸ ALB P02768 1/20 0.41
▸ SLC22A6 Q4U2R8 1/20 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
SCHEMBL11282180 1.00 PTGS1 (0.43) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL5672543 0.93 PTGS1 (0.52) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL5672538 0.93 PTGS1 (0.52) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL11283556 0.91 PTGS1 (0.47) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL11283553 0.91 PTGS1 (0.47) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL10848834 0.88 NR1I2 (0.46) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL10848830 0.88 NR1I2 (0.46) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL9360542 0.87 TDP1 (0.46) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL9360548 0.87 TDP1 (0.46) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL10366997 0.87 TDP1 (0.46) PTGS1ABCB11PDE4DTDP1APEX1

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-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
US-4307116-A BACTERICIDES RHONE-POULENC INDUSTRIES (FR) 1981-12-22 — — US disclosed
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