SCHEMBL30506294

SCHEMBL30506294

COc1ccc(-c2nc(C3CCN(C(=O)CNC(=O)c4ccccc4)CC3)no2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.58
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
HPGD P15428 1/20 0.54
RAB9A P51151 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.50
SMO Q99835 1/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
PREP P48147 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL20116115 1.00 LDHA (0.58) LDHAALDH1A1KDM4ENPC1HPGD
SCHEMBL20116462 0.86 SMO (0.57) LDHASMN1; SMN2SMOLMNAHTT
SCHEMBL30720960 0.86 SMO (0.57) LDHASMN1; SMN2SMOLMNAHTT
SCHEMBL20116128 0.84 TLR8 (0.59) ALDH1A1SMN1; SMN2POLBMAPTLMNA
SCHEMBL22358095 0.82 SMO (0.53) LDHASMN1; SMN2SMOPOLBLMNA
SCHEMBL22357830 0.81 SMO (0.52) LDHASMN1; SMN2SMOLMNAHTT
SCHEMBL22357989 0.81 LDHA (0.54) LDHASMN1; SMN2
SCHEMBL20116112 0.81 SMN1; SMN2 (0.50) LDHANPC1RAB9ASMN1; SMN2SMO
SCHEMBL30506331 0.81 SMN1; SMN2 (0.50) LDHANPC1RAB9ASMN1; SMN2SMO
SCHEMBL22357815 0.81 PREP (0.53) LDHANPC1RAB9ASMN1; SMN2POLB

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-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 CN disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 CN disclosed