SCHEMBL31222063

SCHEMBL31222063

CNC(=O)CCN(Cc1ccccn1)C(=O)c1sc2ccc(-c3ccc(=O)n(C)c3)cc2c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.40
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 2/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SYK P43405 2/20 0.36
BRD4 O60885 1/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
SHMT2 P34897 1/20 0.32
LMNA P02545 1/20 0.31
PTGER4 P35408 1/20 0.31
MAPKAPK2 P49137 1/20 0.31

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
SCHEMBL31221953 0.88 CREBBP (0.35) CREBBPKMT2AKDM4EBRD4ALDH1A1
SCHEMBL31221982 0.88 SOS1 (0.33) BRD4
SCHEMBL31221948 0.88 CREBBP (0.41) CREBBPMEN1KMT2AHSD17B10KDM4E
SCHEMBL31221986 0.83 PKM (0.30)
SCHEMBL31222067 0.82 PIK3CD (0.37) MEN1KMT2AKDM4ESYKTSHR
SCHEMBL31221914 0.81 CREBBP (0.34) CREBBPBRD4ALDH1A1
SCHEMBL31222005 0.80 BRD4 (0.33) HSD17B10KDM4EL3MBTL1SYKBRD4
SCHEMBL31221904 0.80 HTR6 (0.34) BRD4
SCHEMBL31222060 0.79
SCHEMBL31221907 0.79 LMNA (0.37) HSD17B10USP2BRD4TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024232599-A1 NOVEL BENZOTHIOPHENE DERIVATIVE INHIBITING BET PROTEIN AND COMPOSITION FOR TREATMENT OF CANCER, USING SAME 주식회사 베노바이오 2024-11-14 WO disclosed