SCHEMBL31240780

SCHEMBL31240780

CN(C)C(=O)c1ccc(N)c(OCc2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.66
LRRK2 Q5S007 1/20 0.52
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SMPD1 P17405 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
EGFR P00533 2/20 0.47
MAP4K4 O95819 1/20 0.46
SRC P12931 1/20 0.46
RXRA P19793 2/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
DHFR P00374 1/20 0.45
MAOB P27338 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
SCHEMBL29179211 0.84 MAP4K4 (0.58) NPC1HPGDRAB9ASMN1; SMN2MAP4K4
SCHEMBL23629037 0.83 PARP10 (0.60) NPC1HPGDRAB9ASMN1; SMN2SMPD1
SCHEMBL5805287 0.82 HPGD (0.58) BRD4NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL1646958 0.81 LRRK2 (0.63) BRD4LRRK2NPC1HPGDRAB9A
SCHEMBL31240767 0.80 BRD4 (0.61) BRD4LRRK2CYP11B1CYP11B2NPC1
Hydrochloric Acid SCHEMBL7341512 0.80 KMT2A (0.55) NPC1HPGDRAB9ASMN1; SMN2SMPD1
SCHEMBL3114593 0.79 BRD4 (0.69) BRD4NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL11696461 0.79 F10 (0.53) BRD4CYP11B1CYP11B2NPC1HPGD
SCHEMBL11703503 0.78 RAB9A (0.52) NPC1HPGDRAB9ASMN1; SMN2SMPD1
SCHEMBL1648333 0.78 LRRK2 (0.62) BRD4LRRK2NPC1HPGDRAB9A

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-114249694-B In terglazan Process for the preparation of intermediates 浙江四维医药科技有限公司 2025-06-17 CN disclosed
WO-2024228133-A1 NOVEL SALTS OF TEGOPRAZAN AND ITS POLYMORPHS METROCHEM API PVT LTD (IN) 2024-11-07 WO disclosed