SCHEMBL9623509

SCHEMBL9623509

C#CCON=C(C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CI)CS[C@@H]12)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
▸ NR1I2 O75469 5/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ TDP1 Q9NUW8 7/20 0.42
▸ APEX1 P27695 3/20 0.42
▸ APAF1 O14727 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 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
▸ MAPT P10636 3/20 0.41
▸ PPARG P37231 2/20 0.41
▸ PSMD14 O00487 1/20 0.41
▸ MMP2 P08253 1/20 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
SCHEMBL9360942 1.00 PTGS1 (0.43) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL10367503 1.00 PTGS1 (0.43) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL10367505 1.00 PTGS1 (0.43) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9360945 1.00 PTGS1 (0.43) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9623505 1.00 PTGS1 (0.43) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9364702 0.94 PTGS1 (0.43) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL10365137 0.94 PTGS1 (0.43) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL10365136 0.94 PTGS1 (0.43) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9364696 0.94 PTGS1 (0.43) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9361234 0.93 PTGS1 (0.44) PTGS1ABCB11PDE4DNR1I2HTR2C

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-0238060-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND ANTIBACTERIAL AGENTS Banyu Pharmaceutical Co., Ltd. (JP) 1992-01-08 — — EP disclosed
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