SCHEMBL22909290

SCHEMBL22909290

Fc1cc(F)c(N2CCCCC2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
TSHR P16473 2/20 0.49
ALDH1A1 P00352 8/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 8/20 0.47
PKM P14618 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
LMNA P02545 2/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 2/20 0.46
HTT P42858 1/20 0.46
HPGD P15428 2/20 0.45
IP6K1 Q92551 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL9831479 0.98 ALDH1A1 (0.50) MAPK1TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL25539403 0.83 TSHR (0.47) MAPK1TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL29728648 0.83 ALDH1A1 (0.53) MAPK1TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL238269 0.83 ALDH1A1 (0.53) MAPK1TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL23043619 0.80 ALDH1A1 (0.59) MAPK1ALDH1A1SMN1; SMN2MAPTPKM
SCHEMBL8068958 0.80 ALDH1A1 (0.55) MAPK1TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL8074290 0.80 ALDH1A1 (0.55) MAPK1TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL19998621 0.80 TSHR (0.57) MAPK1TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL6204539 0.80 TSHR (0.49) MAPK1TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7918440 0.78 MAPT (0.44) MAPK1TSHRALDH1A1SMN1; SMN2MAPT

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
WO-2021009568-A1 BENZENESULFONAMIDE DERIVATIVES AND USES THEREOF 2692372 ONTARIO, INC. (CA) 2021-01-21 WO disclosed