SCHEMBL31447313

SCHEMBL31447313

COC(=O)c1cc(C)nc(C2CC2)c1N

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 2/20 0.52
POLB P06746 2/20 0.44
HSD17B10 Q99714 1/20 0.41
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40
PTGER4 P35408 1/20 0.39
ACHE P22303 4/20 0.39
BACE1 P56817 1/20 0.39
KMT2A Q03164 1/20 0.38
NQO2 P16083 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL17979201 0.84 KDM4E (0.46) KDM4EALDH1A1HPGDPOLBACHE
SCHEMBL31446994 0.81 KDM4E (0.45) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL31310191 0.78 KDM4E (0.56) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL25360994 0.75 KDM4E (0.54) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL26040460 0.75 KDM4E (0.54) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL31447122 0.75 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10PDK2
SCHEMBL31447083 0.73 TSHR (0.40) KDM4EALDH1A1HPGDKMT2A
SCHEMBL3443144 0.73 PDK2 (0.44) KDM4EALDH1A1HPGDPOLBPDK2
SCHEMBL18068165 0.71 KDM4E (0.47) KDM4EALDH1A1HPGDPOLBPDK2
SCHEMBL10286161 0.70 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10ACHE

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-2025072265-A1 SOMATOSTATIN SUBTYPE RECEPTOR 3 (SSTR3) AGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2025-04-03 WO disclosed