SCHEMBL28007162

SCHEMBL28007162

CSc1nncc(C(=O)O)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 1/20 0.54
ALDH1A1 P00352 10/20 0.50
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2C19 P33261 3/20 0.50
CYP3A4 P08684 2/20 0.50
TDP1 Q9NUW8 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.42
PKM P14618 1/20 0.41
POLB P06746 1/20 0.39
GAA P10253 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALOX15 P16050 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 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
SCHEMBL17225381 0.80 MAPT (0.50) MAPTSMN1; SMN2HTTALDH1A1KMT2A
SCHEMBL30241953 0.72 MEN1 (0.49) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL27252381 0.72 MEN1 (0.49) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL29986175 0.71 ALOX15 (0.39) SMN1; SMN2ALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL31554020 0.71 ALOX15 (0.39) SMN1; SMN2ALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL11631291 0.70 ALDH1A1 (0.63) MAPTSMN1; SMN2HTTALDH1A1KMT2A
SCHEMBL20928644 0.69 ALOX15 (0.38) ALDH1A1TDP1L3MBTL1KDM4EALOX15
SCHEMBL31036608 0.69 LMNA (0.39) SMN1; SMN2ALDH1A1TDP1KDM4EALOX15
SCHEMBL3357653 0.69 ALOX15 (0.42) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL14510449 0.69 KMT2A (0.51) MAPTSMN1; SMN2HTTALDH1A1KMT2A

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
CN-104470363-A 1,2, 4-triazine-6-carboxamide kinase inhibitors PORTOLA PHARM INC 2015-03-25 CN disclosed