SCHEMBL6744533

SCHEMBL6744533

Cc1cc(F)c(O)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA3 P07451 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
SELL P14151 1/20 0.39
SELP P16109 1/20 0.39
SELE P16581 1/20 0.39
MAPT P10636 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
G6PD P11413 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL30626637 1.00 CA3 (0.40) CA3CA6CA5ACA9CA14
SCHEMBL29940515 0.89 MAPT (0.42) CA3CA6CA5ACA9CA14
SCHEMBL14783939 0.89 MAPT (0.42) CA3CA6CA5ACA9CA14
SCHEMBL3627910 0.86 MAPT (0.43) CA3CA6CA5ACA9CA14
SCHEMBL13090168 0.86 KDM4E (0.43) CA3CA6CA5ACA9CA14
SCHEMBL31180035 0.86 MAPT (0.43) CA3CA6CA5ACA9CA14
SCHEMBL6438897 0.83 KDM4E (0.48) CA3CA6CA5ACA9CA14
SCHEMBL765876 0.83 KDM4E (0.48) CA3CA6CA5ACA9CA14
SCHEMBL7724120 0.83 KDM4E (0.55) CA3CA6CA5ACA9CA14
SCHEMBL5513421 0.82 CA9 (0.53) CA3CA6CA5ACA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220157484-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-05-19 US disclosed
WO-2019027960-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-02-07 WO disclosed
US-8642604-B2 Substituted pyrazolo[3,2-d]pyrimidines as anti-cancer agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
US-20040254305-A1 Epoxy resin composition for photosemiconductor package CHANG CHUN PLASTIC CO., LTD. (TW) 2004-12-16 US disclosed