SCHEMBL22890826

SCHEMBL22890826

Nc1ccc2c(c1)c(C(F)(F)F)nn2C1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
RET P07949 6/20 0.35
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ELANE P08246 1/20 0.32
ATR Q13535 3/20 0.31
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 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
SCHEMBL14800443 0.86 CYP4F2 (0.42) RXRARXRBRXRGRETCYP4F2
SCHEMBL14800689 0.86 RXRA (0.37) RXRARXRBRXRGRETCYP4F2
SCHEMBL18369828 0.85 RXRA (0.41) RXRARXRBRXRGRETCYP4F2
SCHEMBL21198696 0.84 CYP4F2 (0.39) RXRARXRBRXRGRETCYP4F2
SCHEMBL29644003 0.83 RET (0.33) RXRARXRBRXRGRETCYP4F2
SCHEMBL22890350 0.83 RET (0.33) RXRARXRBRXRGRETCYP4F2
SCHEMBL18370091 0.83 AR (0.36) RXRARXRBRXRGRETCYP4F2
SCHEMBL21217456 0.83 RET (0.37) RXRARXRBRXRGRETCYP4F2
SCHEMBL177354 0.83 CYP11B2 (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL24610343 0.81 GAA (0.47) RXRARXRBRXRGRETCYP4F2

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-2021007477-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2021-01-14 WO disclosed