SCHEMBL25924580

SCHEMBL25924580

COc1ccc(-c2cc3cc(CN4CCS(=O)(=O)CC4)cc(N)c3[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.44
JAK3 P52333 2/20 0.44
ACP1 P24666 1/20 0.44
PTK2 Q05397 1/20 0.44
PKM P14618 1/20 0.44
HRH4 Q9H3N8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
CHKA P35790 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPY5R Q15761 1/20 0.37
PARP1 P09874 1/20 0.37
PAX8 Q06710 1/20 0.37
JAK1 P23458 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 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
SCHEMBL29384916 0.86 JAK1 (0.40) ACP1MEN1KMT2ANPY5RJAK1
SCHEMBL3433366 0.86 JAK1 (0.40) ACP1MEN1KMT2ANPY5RJAK1
SCHEMBL3011386 0.82 ALDH1A1 (0.43) JAK2JAK3ACP1PTK2PKM
SCHEMBL3420155 0.81 ACP1 (0.43) JAK2JAK3ACP1PTK2PKM
SCHEMBL2998635 0.81 ACP1 (0.42) JAK2JAK3ACP1PTK2PKM
SCHEMBL3000481 0.79 ACP1 (0.41) JAK2JAK3ACP1PTK2PKM
SCHEMBL25924584 0.71 ALDH1A1 (0.48) PKMADORA2AMEN1KMT2AJAK1
SCHEMBL3415029 0.71 ACP1 (0.37) JAK2JAK3ACP1PTK2PKM
SCHEMBL27182356 0.70 L3MBTL1 (0.40) MEN1KMT2ANPY5RKDM4E
SCHEMBL2999222 0.70 DHODH (0.39) PKMMEN1KMT2ANPY5RMAPT

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
WO-2023182840-A1 ANTIVIRAL PHARMACEUTICAL COMPOSITION AND USE THEREOF 주식회사 미토이뮨테라퓨틱스 2023-09-28 WO disclosed
WO-2023146341-A1 OVARIAN ANTI-AGING PHARMACEUTICAL COMPOSITION AND USE THEREOF 주식회사 미토이뮨테라퓨틱스 2023-08-03 WO disclosed