SCHEMBL31477288

SCHEMBL31477288

N#Cc1ccc(CC=O)cn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
AR P10275 1/20 0.36
CHEK1 O14757 5/20 0.35
NAMPT P43490 1/20 0.35
GRM2 Q14416 2/20 0.34
PARP14 Q460N5 1/20 0.34
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
GPR52 Q9Y2T5 1/20 0.32

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
SCHEMBL28939224 1.00 BRD4 (0.40) BRD4ARCHEK1NAMPTGRM2
SCHEMBL3049208 0.83 ALDH1A1 (0.40) BRD4ARCHEK1NAMPTGRM2
SCHEMBL453184 0.80 BRD4 (0.39) BRD4ARCHEK1NAMPTGRM2
SCHEMBL2643631 0.80 BRD4 (0.36) BRD4ARCHEK1NAMPTGRM2
SCHEMBL5498500 0.76 TP53 (0.45) BRD4ARCHEK1NAMPTGRM2
SCHEMBL24146512 0.76 GAA (0.38) BRD4ARCHEK1NAMPTGRM2
SCHEMBL453185 0.76 CHEK1 (0.44) BRD4ARCHEK1NAMPTGRM2
SCHEMBL450834 0.76 ALDH1A1 (0.42) ARCHEK1KCNQ3KCNQ2EGLN2
SCHEMBL452013 0.76 BRD4 (0.36) BRD4ARCHEK1NAMPTGRM2
SCHEMBL507109 0.76 AR (0.41) BRD4ARCHEK1NAMPTGRM2

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-2025085564-A1 LYSINE ACETYLTRANSFERASE INHIBITORS Kronos Bio, Inc. (US) 2025-04-24 WO disclosed
WO-2025085554-A1 LYSINE ACETYLTRANSFERASE INHIBITORS Kronos Bio, Inc. (US) 2025-04-24 WO disclosed