SCHEMBL19984983

SCHEMBL19984983

NCc1nnc(-c2cnccn2)o1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
NOTUM Q6P988 1/20 0.46
TERT O14746 4/20 0.45
PIEZO1 Q92508 12/20 0.44
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL26777790 0.80 KDM4E (0.48) KDM4ETERTPIEZO1HSD17B10MEN1
SCHEMBL579479 0.73 KDM4E (0.47) KDM4ETERTPIEZO1HSD17B10MEN1
SCHEMBL15599488 0.73 KDM4E (0.50) KDM4ETERTPIEZO1HSD17B10MEN1
SCHEMBL28987847 0.71 SMN1; SMN2 (0.57) KDM4ETERTPIEZO1HSD17B10MEN1
SCHEMBL19984827 0.70 KDM4E (0.44) KDM4ETERTPIEZO1HSD17B10MEN1
SCHEMBL26671383 0.69 KDM4E (0.47) KDM4ETERTPIEZO1HSD17B10MEN1
SCHEMBL16997502 0.69 KDM4E (0.47) KDM4ETERTPIEZO1HSD17B10MEN1
SCHEMBL10563043 0.67 TERT (0.56) KDM4ETERTPIEZO1HSD17B10MEN1
SCHEMBL16758515 0.65 TERT (0.44) KDM4ETERTPIEZO1HSD17B10KMT2A
SCHEMBL78566 0.65 NISCH (0.50) KDM4EALDH1A1

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-2018051255-A1 CYCLIC SUBSTITUTED-1,3,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-22 WO disclosed