SCHEMBL31401067

SCHEMBL31401067

CC(C)(C)C(=O)Nc1cncc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 3/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 2/20 0.43
ROCK2 O75116 1/20 0.43
ALOX12 P18054 1/20 0.43
ROCK1 Q13464 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
HDAC4 P56524 1/20 0.42
LCK P06239 1/20 0.42
CTSL P07711 1/20 0.42
PTPRC P08575 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
CTSS P25774 1/20 0.42

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
SCHEMBL12011570 1.00 L3MBTL1 (0.50) L3MBTL1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL15373443 0.83 GAA (0.43) L3MBTL1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL18481112 0.81 L3MBTL1 (0.52) L3MBTL1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL1559057 0.80 HTT (0.46) NPC1RAB9ASMN1; SMN2HTTGAA
SCHEMBL18479926 0.79 AR (0.44) NPC1RAB9ASMN1; SMN2HTTGAA
SCHEMBL18483328 0.79 SLC22A12 (0.37) NPC1RAB9ASMN1; SMN2HTTGAA
SCHEMBL15577665 0.79 L3MBTL1 (0.50) L3MBTL1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL12266463 0.79 L3MBTL1 (0.50) L3MBTL1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL12011608 0.79 HDAC4 (0.48) L3MBTL1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL1502539 0.79 NAMPT (0.48) NPC1RAB9AHTTGAAALDH1A1

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
EP-4739682-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS Janssen Pharmaceutica NV (BE) 2026-05-13 EP disclosed
WO-2025008058-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS JANSSEN PHARMACEUTICA NV (BE) 2025-01-09 WO disclosed