SCHEMBL23845461

SCHEMBL23845461

CCC(=O)Nc1ccc(N)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.55
RAB9A P51151 4/20 0.55
MAPT P10636 4/20 0.55
NPC1 O15118 3/20 0.55
HSD17B10 Q99714 2/20 0.54
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
MAPK1 P28482 2/20 0.49
TP53 P04637 2/20 0.49
ATM Q13315 1/20 0.49
GAA P10253 1/20 0.49
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
MAPKAPK2 P49137 1/20 0.46
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL2270553 0.83 SMN1; SMN2 (0.65) SMN1; SMN2RAB9AMAPTNPC1CA12
SCHEMBL7930570 0.83 HDAC1 (0.48) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL13814572 0.83 GABRP (0.42) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL31052440 0.82 PTPN1 (0.65) SMN1; SMN2RAB9AMAPTNPC1MAPK1
SCHEMBL2232356 0.82 MAPT (0.54) SMN1; SMN2MAPTALDH1A1HPGDKDM4E
SCHEMBL8792557 0.81 HSD17B10 (0.76) SMN1; SMN2RAB9AMAPTNPC1HSD17B10
SCHEMBL19151154 0.81 SMN1; SMN2 (0.56) SMN1; SMN2RAB9AMAPTNPC1HSD17B10
SCHEMBL2081651 0.80 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AMAPTNPC1HSD17B10
SCHEMBL29403604 0.80 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AMAPTNPC1HSD17B10
SCHEMBL27262674 0.80 POLB (0.53) SMN1; SMN2RAB9AMAPTNPC1HSD17B10

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-2021188938-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE AKEBIA THERAPEUTICS, INC. (US) 2021-09-23 WO disclosed