SCHEMBL24910259

SCHEMBL24910259

CC(C)c1cc(-c2c(F)c(F)nc(F)c2F)cc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.35
PTPN5 P54829 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CTSA P10619 4/20 0.31
TRPV3 Q8NET8 1/20 0.31
CASR P41180 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
ATM Q13315 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
SCHEMBL21766567 0.87 IKBKB (0.35) IKBKBPTPN5CTSAALDH1A1GAA
SCHEMBL24910428 0.83 PTPN5 (0.33) IKBKBPTPN5
SCHEMBL26375583 0.79 NOTUM (0.43) IKBKBTDP1ALDH1A1
SCHEMBL21766566 0.77 RXRA (0.40) IKBKBPTPN5CTSAALDH1A1GAA
SCHEMBL24910251 0.74 PSEN1 (0.41) IKBKBPTPN5ALDH1A1GAAATM
SCHEMBL24910092 0.73 PTPN5 (0.41) PTPN5CTSAALDH1A1GAAATM
SCHEMBL437277 0.73 TACR1 (0.42) ALDH1A1
SCHEMBL10629252 0.73 TACR1 (0.39) PTPN5ALDH1A1
SCHEMBL24910095 0.72 RXRA (0.41) PTPN5TDP1ALDH1A1ATM
SCHEMBL24910184 0.72 PSEN1 (0.41) PTPN5CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4122934-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-01-25 EP disclosed