SCHEMBL29809183

SCHEMBL29809183

O=c1[nH]c2c(Cl)nc3ccccc3c2n1Cc1cccc(CN2CCOCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PARP1 P09874 2/20 0.45
NCF1 P14598 1/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 2/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.41
TNKS O95271 1/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
ACP1 P24666 1/20 0.41

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
SCHEMBL24733037 1.00 MEN1 (0.48) MEN1KMT2APARP1NCF1POLB
SCHEMBL24732778 0.91 ALDH1A1 (0.44) MEN1KMT2AALDH1A1TSHRL3MBTL1
SCHEMBL29809343 0.91 ALDH1A1 (0.44) MEN1KMT2AALDH1A1TSHRL3MBTL1
SCHEMBL29809002 0.90 MAOB (0.43) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL24732724 0.90 MAOB (0.43) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL24732749 0.88 TLR7 (0.48) MEN1KMT2APARP1NCF1ALDH1A1
SCHEMBL29809234 0.88 MC4R (0.45) PARP1NCF1ALDH1A1HTTHSD17B10
SCHEMBL24733475 0.88 MC4R (0.45) PARP1NCF1ALDH1A1HTTHSD17B10
SCHEMBL29808993 0.88 TLR7 (0.48) MEN1KMT2APARP1NCF1ALDH1A1
SCHEMBL28802656 0.87 ADORA2A (0.44) MEN1KMT2APARP1ALDH1A1KDM4E

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-114805341-B Aromatic heterocyclic compound, and preparation method and application thereof 上海翊石医药科技有限公司 2023-12-08 CN disclosed
CN-114805341-A Aromatic heterocyclic compounds and preparation method and application thereof 上海翊石医药科技有限公司 2022-07-29 CN disclosed