SCHEMBL8613608

SCHEMBL8613608

Nc1nc(C(=NOC(F)F)C(=O)O)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
ITGB1 P05556 2/20 0.38
ITGA4 P13612 2/20 0.38
KDM4E B2RXH2 2/20 0.36
GABRA5 P31644 1/20 0.36
GABRB2 P47870 1/20 0.36
HSD17B10 Q99714 1/20 0.36
USP2 O75604 1/20 0.36
ESR1 P03372 1/20 0.36
NR1I2 O75469 2/20 0.35
PGR P06401 1/20 0.35
PTGS2 P35354 1/20 0.35
MAPK1 P28482 1/20 0.33

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
SCHEMBL8613604 1.00 MAPT (0.41) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL9602549 1.00 MAPT (0.41) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL8618502 0.86 MAPT (0.44) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL8618505 0.86 MAPT (0.44) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL8618499 0.86 MAPT (0.44) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL11169631 0.81 MAPT (0.47) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL968132 0.81 MAPT (0.59) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL968131 0.81 MAPT (0.59) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL5694533 0.81 MAPT (0.59) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL8344610 0.81 MAPT (0.46) MAPTALDH1A1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716948-A 3-substituted carbacephems PFIZER INC. (US) 1998-02-10 US disclosed
EP-0644886-A1 3-SUBSTITUTED CARBACEPHEMS PFIZER INC. (US) 1995-03-29 EP disclosed
WO-1993025551-A1 3-SUBSTITUTED CARBACEPHEMS SMITHKLINE BEECHAM PLC (GB) 1993-12-23 WO disclosed
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