SCHEMBL30860811

SCHEMBL30860811

Cc1cc(Br)c2cnn(C3CCCCO3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
ALDH1A1 P00352 3/20 0.40
POLB P06746 3/20 0.40
LMNA P02545 1/20 0.40
OPRK1 P41145 1/20 0.36
RET P07949 2/20 0.36
PDE1A P54750 3/20 0.35
PDE1B Q01064 3/20 0.35
PDE1C Q14123 3/20 0.35
ATR Q13535 5/20 0.35
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.32

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
SCHEMBL14723573 1.00 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL14723428 0.85 RXRA (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30811750 0.85 RXRA (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31128154 0.84 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL15209141 0.84 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL17731741 0.84 RXRA (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31128164 0.84 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL29561854 0.84 RXRA (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL14723051 0.82 ATR (0.41) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL25795329 0.82 RXRA (0.46) CYP4F2CYP4A11RXRARXRBRXRG

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-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 WO disclosed