SCHEMBL30326005

SCHEMBL30326005

CC(=O)c1ncc(Br)c(C)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 3/20 0.33
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HTT P42858 1/20 0.32
MAPK1 P28482 1/20 0.31
APLNR P35414 1/20 0.31
SORD Q00796 1/20 0.30
HPGD P15428 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
SCHEMBL2038871 0.84 KMT2A (0.38) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL31366256 0.84 KMT2A (0.38) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL22256745 0.82 NPC1 (0.40) RAB9ANPC1KMT2APOLBHSD17B10
SCHEMBL20517447 0.79 NPC1 (0.41) RAB9ANPC1KMT2ASMN1; SMN2HSD17B10
SCHEMBL20517639 0.79 ALDH1A1 (0.36) RAB9ANPC1KMT2ASMN1; SMN2POLB
SCHEMBL18420384 0.79 CYP4F2 (0.39) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL30600776 0.79 ALDH1A1 (0.36) RAB9ANPC1KMT2ASMN1; SMN2POLB
SCHEMBL30600870 0.79 NPC1 (0.41) RAB9ANPC1KMT2ASMN1; SMN2HSD17B10
SCHEMBL30326198 0.79 CYP4F2 (0.39) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL18179064 0.79 SMN1; SMN2 (0.40) RAB9ASMN1; SMN2POLBALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025049275-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2025-03-06 WO disclosed
WO-2025043148-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2025-02-27 WO disclosed
CN-115989224-B Plasma kallikrein inhibitors 默沙东有限责任公司 2025-02-25 CN disclosed
EP-4164634-A1 PLASMA KALLIKREIN INHIBITORS Merck Sharp & Dohme LLC (US) 2023-04-19 EP disclosed
CN-115989224-A Plasma kallikrein inhibitors 默沙东有限责任公司 2023-04-18 CN disclosed