SCHEMBL29429680

SCHEMBL29429680

CC(=O)c1ccc(Cn2c(=O)c3c(ncn3CC3CC3)n(C)c2=O)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
TRPA1 O75762 6/20 0.45
POLB P06746 1/20 0.44
HIF1A Q16665 1/20 0.44
LMNA P02545 3/20 0.43
ESR1 P03372 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
ACHE P22303 1/20 0.43
PDE4A P27815 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
MAPK1 P28482 3/20 0.43
ADORA2B P29275 4/20 0.42
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
RXFP1 Q9HBX9 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.40

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
SCHEMBL17682179 1.00 KMT2A (0.47) KMT2ATRPA1POLBHIF1ALMNA
SCHEMBL19601322 0.85 KMT2A (0.45) KMT2ATRPA1POLBHIF1ALMNA
SCHEMBL17682197 0.83 ADORA2B (0.60) KMT2ALMNACYP1A2NFKB1ACHE
SCHEMBL30025066 0.83 ADORA2B (0.60) KMT2ALMNACYP1A2NFKB1ACHE
SCHEMBL29799179 0.82 TRPA1 (0.47) KMT2ATRPA1POLBHIF1ALMNA
SCHEMBL17682244 0.82 TRPA1 (0.47) KMT2ATRPA1POLBHIF1ALMNA
SCHEMBL17682175 0.82 KMT2A (0.42) KMT2ATRPA1POLBHIF1ALMNA
SCHEMBL18819561 0.78 KMT2A (0.41) KMT2ATRPA1POLBHIF1ALMNA
SCHEMBL17682220 0.76 KMT2A (0.44) KMT2ATRPA1POLBHIF1ALMNA
SCHEMBL17682304 0.75 KMT2A (0.54) KMT2ATRPA1POLBHIF1ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111233863-B Hydroxyl purine compound and application thereof 广东众生睿创生物科技有限公司 2022-10-25 CN disclosed
US-RE49128-E1 Hydroxyl purine compounds and applications thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2022-07-12 US disclosed
EP-3205652-B1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG RAYNOVENT BIOTECH CO LTD (CN) 2022-03-09 EP disclosed