SCHEMBL9254096

SCHEMBL9254096

CCn1nc(-c2cccs2)n(C)c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.53
ALDH1A1 P00352 7/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 3/20 0.53
HTT P42858 3/20 0.53
LMNA P02545 3/20 0.53
TSHR P16473 3/20 0.53
HSD17B10 Q99714 2/20 0.53
TP53 P04637 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
RAF1 P04049 1/20 0.53
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
THRB P10828 1/20 0.53
CASP1 P29466 1/20 0.53
RECQL P46063 1/20 0.53
GALK1 P51570 1/20 0.53

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
SCHEMBL9118620 0.82 ALDH1A1 (0.49) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL27933637 0.72 KDM4E (0.46) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10195758 0.70 HSF1 (1.00) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9909953 0.69 ALDH1A1 (0.51) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10424759 0.68 KDM4E (0.47) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9121239 0.68 KDM4E (0.48) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9258181 0.68 ADORA2B (0.61) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6760748 0.67 BRD9 (0.41) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12596380 0.65 KDM4E (0.65) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4871008 0.65 KDM4E (0.59) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2

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
US-5436252-A Antiischemic agents, stroke, Alzheimer's or Parkinson's diseases MERRELL DOW PHARMACEUTICALS INC. (US) 1995-07-25 US claimed
US-5436252-A Antiischemic agents, stroke, Alzheimer's or Parkinson's diseases MERRELL DOW PHARMACEUTICALS INC. (US) 1995-07-25 US disclosed