SCHEMBL28548773

SCHEMBL28548773

Nc1nc(N)c(N=Nc2ccc3ccccc3c2)c(N)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.52
MAPK1 P28482 2/20 0.52
HSD17B10 Q99714 2/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 8/20 0.51
MEN1 O00255 7/20 0.51
NPC1 O15118 7/20 0.51
RAB9A P51151 7/20 0.51
HSP90AA1 P07900 3/20 0.51
MAPT P10636 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
POLB P06746 3/20 0.51
ATM Q13315 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTR3E A5X5Y0 2/20 0.44
HTR3B O95264 2/20 0.44
HTR3A P46098 2/20 0.44
HTR3D Q70Z44 2/20 0.44
HTR3C Q8WXA8 2/20 0.44

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
SCHEMBL10708396 0.80 MAPT (0.64) CYP1A2MAPK1HSD17B10HPGDCYP2C19
SCHEMBL10708407 0.80 MAPT (0.64) CYP1A2MAPK1HSD17B10HPGDCYP2C19
SCHEMBL3283287 0.79 MEN1 (0.75) CYP1A2MAPK1HSD17B10KMT2AMEN1
SCHEMBL10017620 0.79 MEN1 (0.75) CYP1A2MAPK1HSD17B10KMT2AMEN1
SCHEMBL3843987 0.78 CCNE1 (0.67) MAPK1KMT2AMEN1NPC1RAB9A
SCHEMBL3843986 0.78 CCNE1 (0.67) MAPK1KMT2AMEN1NPC1RAB9A
SCHEMBL12412502 0.76 RAB9A (0.66) MAPK1HSD17B10KMT2AMEN1NPC1
SCHEMBL14280920 0.76 RAB9A (0.66) MAPK1HSD17B10KMT2AMEN1NPC1
SCHEMBL11891993 0.76 RAB9A (0.66) MAPK1HSD17B10KMT2AMEN1NPC1
SCHEMBL11695313 0.75 SENP2 (0.59) MAPK1KMT2AMEN1NPC1RAB9A

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-108273478-B Formaldehyde removal composition and product 李怀玉 2021-03-02 CN disclosed