SCHEMBL24566166

SCHEMBL24566166

Nc1ccc(CN2CCC(F)(F)C2)c(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.61
POLB P06746 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
SCN9A Q15858 1/20 0.38
GPR183 P32249 2/20 0.38
FAAH O00519 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ATM Q13315 1/20 0.37
C5AR1 P21730 1/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
ACHE P22303 2/20 0.35
CNR2 P34972 4/20 0.35
KMT2A Q03164 1/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL24566101 0.92 NR1H2 (0.59) NR1H2POLBGLAGAATSHR
SCHEMBL20912724 0.92 NR1H2 (0.68) NR1H2POLBGLAGAATSHR
SCHEMBL29958937 0.92 NR1H2 (0.68) NR1H2POLBGLAGAATSHR
SCHEMBL29958764 0.89 NR1H2 (0.63) NR1H2POLBGLAGAATSHR
SCHEMBL4933173 0.80 NR1H2 (0.76) NR1H2POLBGLAGAATSHR
SCHEMBL545052 0.80 NR1H2 (0.76) NR1H2POLBGLAGAATSHR
SCHEMBL27088111 0.80 NR1H2 (0.67) NR1H2POLBGLAGAATSHR
SCHEMBL29175928 0.79 NR1H2 (0.74) NR1H2POLBGLAGAATSHR
SCHEMBL29998843 0.79 NR1H2 (0.74) NR1H2POLBGLAGAATSHR
SCHEMBL3166705 0.79 NR1H2 (0.74) NR1H2POLBGLAGAATSHR

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-2022140527-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed