SCHEMBL31222030

SCHEMBL31222030

Cc1c(C(=O)N(CCCCO)Cc2ccc(C#N)cc2)sc2ccc(-c3ccc(=O)n(C)c3)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 3/20 0.35
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
MAPKAPK2 P49137 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA9 Q16790 1/20 0.32
LPAR1 Q92633 4/20 0.31
MCHR1 Q99705 1/20 0.31
BRD4 O60885 1/20 0.31
NSD2 O96028 1/20 0.31
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 1/20 0.30
CCNT1 O60563 1/20 0.30
CCNK O75909 1/20 0.30
CDK14 O94921 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
SCHEMBL31222027 0.89 LPAR1 (0.38) CREBBPLPAR1LTB4R2
SCHEMBL31221914 0.88 CREBBP (0.34) CREBBPPIM1PIM3PIM2BRD4
SCHEMBL31221946 0.82 PKM (0.31)
SCHEMBL31221876 0.82
SCHEMBL31221948 0.81 CREBBP (0.41) CREBBPMAPKAPK2BRD4
SCHEMBL31221910 0.80 BRD4 (0.33) BRD4
SCHEMBL31222041 0.80 SOS1 (0.33) BRD4
SCHEMBL31221993 0.79 HTR6 (0.35) BRD4
SCHEMBL31221985 0.78 BRD4 (0.37) BRD4
SCHEMBL31222061 0.78 DPP4 (0.33) BRD4CDK9

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