SCHEMBL21688904

SCHEMBL21688904

N#Cc1coc(-c2ccc(N)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.47
NPC1 O15118 10/20 0.47
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 7/20 0.41
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 4/20 0.41
HSD17B10 Q99714 4/20 0.41
TP53 P04637 4/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
GLA P06280 2/20 0.41
ALOX15 P16050 1/20 0.41
ACHE P22303 2/20 0.40
ATM Q13315 1/20 0.38
GFER P55789 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL21664115 0.82 HDAC1 (0.46) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL21688733 0.82 APP (0.41) RAB9ANPC1ALDH1A1KDM4EGAA
SCHEMBL1003962 0.82 NPC1 (0.47) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL21664116 0.81 NOTUM (0.47) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL11426983 0.73 ENPP3 (0.51) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL5310580 0.72 ACHE (0.56) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL21643028 0.72 TPH1 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL21643030 0.72 TPH1 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL12377863 0.70 NPC1 (0.49) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL3125343 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
EP-3604326-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM Corporation (JP) 2020-02-05 EP disclosed