SCHEMBL9675381

SCHEMBL9675381

Cc1c(F)c(N)cc(Br)c1F

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL23525080 0.84 POLB (0.35) POLBL3MBTL1CYP3A4TSHRMAPK1
SCHEMBL31032207 0.81 POLB (0.37) POLBL3MBTL1CYP3A4TSHRMAPK1
SCHEMBL26694479 0.80 POLB (0.33) POLBL3MBTL1CYP3A4TSHRMAPK1
SCHEMBL26694576 0.80 POLB (0.33) POLBL3MBTL1CYP3A4TSHRMAPK1
SCHEMBL10529865 0.77 POLB (0.36) POLBL3MBTL1ALDH1A1
SCHEMBL30898001 0.77 SOS1 (0.36) POLBL3MBTL1
SCHEMBL30699773 0.76 ALDH1A1 (0.38) POLBL3MBTL1CYP3A4TSHRMAPK1
SCHEMBL1494426 0.76 ALDH1A1 (0.38) POLBL3MBTL1CYP3A4TSHRMAPK1
SCHEMBL27051857 0.76 PRKDC (0.32) POLBL3MBTL1
SCHEMBL2353610 0.75 ALDH1A1 (0.33) CYP3A4TSHRMAPK1ALDH1A1

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-0237955-B1 QUINOLONECARBOXYLIC ACID DERIVATIVES AND THEIR PREPARATION KYORIN PHARMACEUTICAL CO., LTD. (JP) 1992-07-15 EP disclosed
US-4894458-A BACTERICIDES KYORIN PHARMACEUTICAL CO., LTD. (JP) 1990-01-16 US disclosed
EP-0237955-A2 Quinolonecarboxylic acid derivatives and their preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1987-09-23 EP disclosed