SCHEMBL23501716

SCHEMBL23501716

CN(c1cncc(C(=O)O)c1)C1CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
KDM4E B2RXH2 5/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
HCAR2 Q8TDS4 6/20 0.47
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
DDO Q99489 1/20 0.43
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
HPGD P15428 1/20 0.36
RAF1 P04049 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
SCHEMBL29934024 1.00 ALDH1A1 (0.65) ALDH1A1KDM4EMEN1KMT2AHCAR2
SCHEMBL31364801 0.83 ATM (0.51) ALDH1A1KDM4EMEN1KMT2ACYP2C9
SCHEMBL30811844 0.79 ALDH1A1 (1.00) ALDH1A1KDM4EMEN1KMT2AHCAR2
SCHEMBL17820066 0.75 ALDH1A1 (0.71) ALDH1A1KDM4EMEN1KMT2AHCAR2
SCHEMBL3944146 0.71 ALDH1A1 (0.66) ALDH1A1KDM4EMEN1KMT2AHCAR2
SCHEMBL30366002 0.70 APLNR (0.45) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL27991133 0.70 APLNR (0.45) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL26145000 0.70 KDM4E (0.52) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL51830 0.70 HCAR2 (0.70) ALDH1A1KDM4EMEN1KMT2AHCAR2
SCHEMBL21062029 0.69 KDM4E (0.36) ALDH1A1KDM4EMEN1KMT2AIRAK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115315421-A Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2022-11-08 CN disclosed
WO-2021117846-A1 COMPOUND SERVING AS PDGF RECEPTOR KINASE INHIBITOR, AND COMPOSITION 日本新薬株式会社 2021-06-17 WO disclosed