SCHEMBL20000852

SCHEMBL20000852

Nc1nc(CC2CC2)cs1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.47
GABRB2 P47870 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
NOS1 P29475 2/20 0.44
MAPT P10636 1/20 0.42
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 2/20 0.40
ATM Q13315 1/20 0.40
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38

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
SCHEMBL17709802 0.92 LMNA (0.47) GABRA5GABRB2HSD17B10LMNASMN1; SMN2
SCHEMBL15549396 0.91 LMNA (0.46) GABRA5GABRB2HSD17B10LMNASMN1; SMN2
SCHEMBL6415421 0.74 ALDH1A1 (0.43) HSD17B10LMNASMN1; SMN2NOS1MAPT
SCHEMBL1970795 0.74 NOS1 (0.44) GABRA5GABRB2HSD17B10LMNASMN1; SMN2
SCHEMBL2567076 0.72
SCHEMBL5875718 0.71 GABRA5 (0.54) GABRA5GABRB2HSD17B10SMN1; SMN2MAPT
SCHEMBL17709923 0.71 HTR6 (0.34) NPC1
SCHEMBL18391843 0.70
SCHEMBL77889 0.70
SCHEMBL3509445 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018058109-A1 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISORDERS NUSIRT SCIENCES, INC. (US) 2018-03-29 WO disclosed