SCHEMBL19984827

SCHEMBL19984827

CCCCSNCc1nnc(-c2cnccn2)o1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
TERT O14746 4/20 0.38
PIEZO1 Q92508 10/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
APLNR P35414 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
NLRP3 Q96P20 1/20 0.33

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 0.76 KDM4E (0.48) KDM4ETERTPIEZO1HSD17B10CYP2D6
SCHEMBL19984983 0.70 KDM4E (0.47) KDM4ETERTPIEZO1HSD17B10MEN1
SCHEMBL19984852 0.65 KDM4E (0.37) KDM4ETERTPIEZO1HSD17B10MEN1
SCHEMBL15599488 0.64 KDM4E (0.50) KDM4ETERTPIEZO1HSD17B10MEN1
SCHEMBL19984805 0.63 NPY5R (0.37) KDM4ETERTPIEZO1MEN1ALDH1A1
SCHEMBL579479 0.61 KDM4E (0.47) KDM4ETERTPIEZO1HSD17B10MEN1
SCHEMBL16997502 0.61 KDM4E (0.47) KDM4ETERTPIEZO1HSD17B10MEN1
SCHEMBL26671383 0.61 KDM4E (0.47) KDM4ETERTPIEZO1HSD17B10MEN1
SCHEMBL18490869 0.59 RAB9A (0.62) KDM4EHSD17B10CYP2C19MEN1ALDH1A1
SCHEMBL10563043 0.59 TERT (0.56) KDM4ETERTPIEZO1HSD17B10MEN1

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