SCHEMBL4765262

SCHEMBL4765262

Cc1cnc(CC(N)=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
MAOB P27338 3/20 0.35
CXCR4 P61073 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.33
BAZ2B Q9UIF8 1/20 0.32
MAOA P21397 2/20 0.32
NNMT P40261 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
SCHEMBL4764978 0.81 CAPN1 (0.36) ALDH1A1CXCR4RAB9APOLB
SCHEMBL14037700 0.74
SCHEMBL14744470 0.73 MAOB (0.38) MAOB
SCHEMBL16136259 0.70 KDM4E (0.45) HTTALDH1A1CXCR4
SCHEMBL2282179 0.70
SCHEMBL279674 0.69
SCHEMBL10380187 0.68 SIRT1 (0.41) HTTALDH1A1SIRT1
SCHEMBL4019327 0.68 ALDH1A1 (0.45) ALDH1A1CXCR4POLB
SCHEMBL19323027 0.68 SMN1; SMN2 (0.38) LMNARAB9APOLB
SCHEMBL16133626 0.67 CACNA1B (0.43) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP claimed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO claimed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP disclosed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO disclosed