SCHEMBL29033703

SCHEMBL29033703

Cc1ccnc(NN=Cc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.56
NPC1 O15118 10/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
TP53 P04637 1/20 0.56
PKM P14618 1/20 0.56
KMT2A Q03164 8/20 0.56
MEN1 O00255 7/20 0.56
CYP1A2 P05177 2/20 0.54
LMNA P02545 4/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
GAA P10253 4/20 0.52
FFAR1 O14842 1/20 0.52
MAPT P10636 5/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL7525815 0.80 RAB9A (0.69) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL7522456 0.78 RAB9A (0.76) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL7522459 0.78 RAB9A (0.76) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL9735307 0.76 GAA (0.64) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL29033683 0.74 CYP1A2 (0.63) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL30498957 0.74 CYP1A2 (0.63) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL9442365 0.72 RAB9A (0.74) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL9442364 0.72 RAB9A (0.74) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL7928689 0.72 ALDH1A1 (0.53) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL28170026 0.71 RAB9A (0.68) RAB9ANPC1SMN1; SMN2TP53PKM

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-116444518-A Green synthesis method of condensed ring triazole compound 台州学院 2023-07-18 CN disclosed