SCHEMBL9811013

SCHEMBL9811013

O=C1C(F)=CC=C2C1=Cc1ccc(F)cc12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.37
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
PARK7 Q99497 1/20 0.32
USP8 P40818 1/20 0.30
USP7 Q93009 1/20 0.30
USP47 Q96K76 1/20 0.30
ACHE P22303 1/20 0.30
PARP1 P09874 1/20 0.30
PARP10 Q53GL7 1/20 0.30

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
SCHEMBL30716074 0.86 PTPN1 (0.34) PTPN1CA1CA2CA7CA9
SCHEMBL7432077 0.86 PTPN1 (0.34) PTPN1CA1CA2CA7CA9
SCHEMBL10560302 0.81 PTPN1 (0.43) PTPN1CA1CA2CA7CA9
SCHEMBL7442079 0.79 CDC25B (0.41) PTPN1ACHE
SCHEMBL9457098 0.70 PTPN1 (0.38) PTPN1CA1CA2CA7CA9
SCHEMBL8078213 0.70 PTPN1 (0.40) PTPN1CA1CA2CA7CA9
SCHEMBL6653492 0.70 PTPN1 (0.33) PTPN1CA1CA2CA7CA9
SCHEMBL28903176 0.69 S100A4 (0.42) CA1CA2CA7CA9ACHE
SCHEMBL29651997 0.69 S100A4 (0.42) CA1CA2CA7CA9ACHE
SCHEMBL30423643 0.69 BACE1 (0.49) PTPN1PARK7

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
EP-0092385-B1 HYDANTOIN DERIVATIVES FOR USE IN INHIBITING ALDOSE REDUCTASE ACTIVITY, COMPOSITIONS THEREFOR AND PROCESS FOR PREPARING SPIRO-FLUOREN COMPOUNDS ALCON LABORATORIES, INC. (US) 1991-06-12 EP disclosed
US-4540700-A Treatment of diabetic complications with certain spiro-imidazolidine-diones ALCON LABORATORIES, INC. (US) 1985-09-10 US disclosed
US-4438272-A COMPLICATIONS OF DIABETES ALCON LABORATORIES, INC. (US) 1984-03-20 US disclosed
US-4436745-A TETRACYCLIC SPIROHYDANTOINS ALCON LABORATORIES, INC. (US) 1984-03-13 US disclosed
WO-1983003543-A1 METHOD OF INHIBITING ALDOSE REDUCTASE ACTIVITY, COMPOSITIONS THEREFOR AND PROCESS FOR PREPARING SPIRO-FLUOROFLUOREN AND SPIRO-DIFLUOROFLUOREN COMPOUNDS ALCON LAB INC (US) 1983-10-27 WO disclosed
EP-0092385-A2 Hydantoin derivatives for use in inhibiting aldose reductase activity, compositions therefor and process for preparing spiro-fluoren compounds ALCON LABORATORIES, INC. (US) 1983-10-26 EP disclosed