SCHEMBL11666641

SCHEMBL11666641

CCCCCc1c(C(F)(F)F)n[nH]c1N

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
TYMP P19971 3/20 0.33
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 1/20 0.33
GAA P10253 2/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 3/20 0.31
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PKM P14618 1/20 0.31
HCAR3 P49019 1/20 0.30
HCAR2 Q8TDS4 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
SCHEMBL10697030 0.85 MAPT (0.35) MAPTTYMPTLR8TLR7GAA
SCHEMBL2733972 0.77 TLR8 (0.40) MAPTTYMPTLR8TLR7GAA
SCHEMBL17500332 0.75 MAPT (0.41) MAPTTYMPTLR8TLR7GAA
SCHEMBL10748732 0.73 GAA (0.38) MAPTGAALMNATSHRMAPK1
SCHEMBL10447528 0.72 P2RX7 (0.41) MAPTMAPK1ALDH1A1HPGD
SCHEMBL8636988 0.71 GAA (0.33) MAPTTYMPTLR8TLR7GAA
SCHEMBL15687818 0.70 BRD4 (0.35) GAA
SCHEMBL7857448 0.70 MLYCD (0.36) MAPTTLR8TLR7ALDH1A1
SCHEMBL6683717 0.70 MAPT (0.47) MAPTTYMPTLR8TLR7GAA
SCHEMBL7211712 0.70 MLYCD (0.36) MAPTTLR8TLR7ALDH1A1

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-4122278-A INTERMEDIATES FOR DYES PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1978-10-24 US claimed
US-4122278-A INTERMEDIATES FOR DYES PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1978-10-24 US disclosed
US-4122278-A INTERMEDIATES FOR DYES PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1978-10-24 US disclosed
US-4122278-A INTERMEDIATES FOR DYES PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1978-10-24 US disclosed
US-4101540-A USEFUL FOR DYEING ACRYLONITRILE POLYMERS OR ACID-MODIFIED POLYESTERS OR POLYAMIDES PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1978-07-18 US disclosed
US-4101540-A USEFUL FOR DYEING ACRYLONITRILE POLYMERS OR ACID-MODIFIED POLYESTERS OR POLYAMIDES PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1978-07-18 US disclosed