SCHEMBL24477339

SCHEMBL24477339

CCC(C)c1cn2c(n1)[nH]c1ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
POLB P06746 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
CYP1A2 P05177 1/20 0.36
RXFP1 Q9HBX9 2/20 0.35
PSMB8 P28062 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PDE2A O00408 1/20 0.34
PDE6D O43924 1/20 0.34
PDE8A O60658 1/20 0.34
PDE5A O76074 1/20 0.34
PDE9A O76083 1/20 0.34
PDE8B O95263 1/20 0.34
PDE6A P16499 1/20 0.34
PDE6G P18545 1/20 0.34
PDE4A P27815 1/20 0.34
PDE6B P35913 1/20 0.34

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
SCHEMBL24477338 0.76 KDM4E (0.46) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL29033147 0.70 ALDH1A1 (0.40) ALDH1A1POLBMEN1KMT2ARXFP1
SCHEMBL20893066 0.70 RXFP1 (0.40) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL13424035 0.70 ALDH1A1 (0.37) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL24477504 0.69 PDE2A (0.38) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL9264821 0.68 ALDH1A1 (0.52) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL24477519 0.67 MEN1 (0.37) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL24477316 0.67 MEN1 (0.46) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL24477383 0.67 MEN1 (0.44) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL24477317 0.67 MEN1 (0.46) ALDH1A1POLBMEN1KMT2ASMN1; SMN2

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-2022111473-A1 COMPOUNDS AS MRGPRX2 ANTAGONISTS BIOARDIS LLC (US) 2022-06-02 WO disclosed