SCHEMBL31222005

SCHEMBL31222005

CNC(=O)CCN(CCN1CCN(C)CC1)C(=O)c1sc2ccc(-c3ccc(=O)n(C)c3)cc2c1C

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
BRDT Q58F21 1/20 0.33
PARP1 P09874 1/20 0.33
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
BMPR1B O00238 1/20 0.31
BMPR1A P36894 1/20 0.31
ACVRL1 P37023 1/20 0.31
ACVR1 Q04771 1/20 0.31
SYK P43405 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
TERT O14746 1/20 0.30

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
SCHEMBL31221907 0.92 LMNA (0.37) BRD4PARP1ALDH1A1HSD17B10TSHR
SCHEMBL31221926 0.91 CASP3 (0.32) BRD4BRD2BRD3BRDT
SCHEMBL31221897 0.90 NPY1R (0.35) BRD4BRD2BRD3BRDT
SCHEMBL31221910 0.87 BRD4 (0.33) BRD4BRD2BRD3BRDTPARP1
SCHEMBL31221953 0.84 CREBBP (0.35) BRD4KDM4EALDH1A1
SCHEMBL31221904 0.83 HTR6 (0.34) BRD4
SCHEMBL31221932 0.83 GSK3B (0.39) ALDH1A1
SCHEMBL31221986 0.82 PKM (0.30)
SCHEMBL31221914 0.80 CREBBP (0.34) BRD4ALDH1A1
SCHEMBL31222063 0.80 CREBBP (0.40) BRD4KDM4EALDH1A1HSD17B10L3MBTL1

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