SCHEMBL9601802

SCHEMBL9601802

N#C/C=C\SCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)/C(=N/OC(F)F)c3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)[C@H]2SC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.40
▸ PTGS1 P23219 2/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ NR1I2 O75469 5/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ TDP1 Q9NUW8 5/20 0.38
▸ PGR P06401 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ MAPT P10636 3/20 0.38
▸ PPARG P37231 3/20 0.38
▸ SLC22A6 Q4U2R8 2/20 0.38
▸ SLC22A8 Q8TCC7 2/20 0.38
▸ SLC22A11 Q9NSA0 2/20 0.38
▸ APAF1 O14727 2/20 0.38
▸ PSMD14 O00487 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ ALB P02768 1/20 0.38
▸ DAO P14920 1/20 0.38
▸ SNCA P37840 1/20 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
SCHEMBL9601807 1.00 KMT2A (0.40) KMT2APTGS1ABCB11PDE4DNR1I2
SCHEMBL9601567 0.93 KMT2A (0.46) KMT2ANR1I2HTR2CTDP1PGR
SCHEMBL9601560 0.93 KMT2A (0.46) KMT2ANR1I2HTR2CTDP1PGR
SCHEMBL9323658 0.88 PTGS1 (0.44) KMT2APTGS1ABCB11PDE4DNR1I2
SCHEMBL9602433 0.88 PTGS1 (0.44) KMT2APTGS1ABCB11PDE4DNR1I2
SCHEMBL9323664 0.88 PTGS1 (0.44) KMT2APTGS1ABCB11PDE4DNR1I2
SCHEMBL10769400 0.88 PTGS1 (0.44) KMT2APTGS1ABCB11PDE4DNR1I2
SCHEMBL9323661 0.88 PTGS1 (0.44) KMT2APTGS1ABCB11PDE4DNR1I2
SCHEMBL9602436 0.88 PTGS1 (0.44) KMT2APTGS1ABCB11PDE4DNR1I2
SCHEMBL9600886 0.84 NR1I2 (0.45) KMT2APTGS1ABCB11PDE4DNR1I2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0188254-B1 CEPHEM COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-24 — — EP disclosed
US-4761410-A MICROBIOCIDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-08-02 — — US disclosed
EP-0188254-A2 Cephem compounds, processes for preparation thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-07-23 — — EP disclosed
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