SCHEMBL19984980

SCHEMBL19984980

N[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nnc(-c2cnccn2)o1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIEZO1 Q92508 8/20 0.38
TERT O14746 4/20 0.38
KDM4E B2RXH2 2/20 0.36
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
VNN1 O95497 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL17903550 0.75 ALDH1A1 (0.38) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19871032 0.67 HCAR2 (0.40) MAPTPOLB
SCHEMBL19864340 0.65 MAPT (0.49) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL19984824 0.65 HDAC6 (0.34) TERTKDM4E
SCHEMBL19863311 0.65 HCAR2 (0.39) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL25209459 0.65 SLC1A3 (0.53)
SCHEMBL21690461 0.65 SLC1A3 (0.53)
SCHEMBL17477557 0.65 SLC1A3 (0.53)
SCHEMBL18078725 0.64 CD274 (0.52) KDM4EMEN1KMT2APOLB
SCHEMBL19866357 0.64 CD274 (0.52) KDM4EMEN1KMT2APOLB

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