SCHEMBL29414656

SCHEMBL29414656

Nc1ccccc1Nc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
GAA P10253 4/20 0.62
ALDH1A1 P00352 4/20 0.62
KMT2A Q03164 4/20 0.62
KDM4E B2RXH2 3/20 0.62
MEN1 O00255 2/20 0.62
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 1/20 0.53
APP P05067 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
SNCA P37840 1/20 0.53
BLM P54132 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HDAC3 O15379 3/20 0.51

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
SCHEMBL1239861 1.00 MAPT (0.62) MAPTGAAALDH1A1KMT2AKDM4E
SCHEMBL20062968 0.86 KMT2A (0.55) MAPTKMT2AMEN1RAD52RAB9A
SCHEMBL16035726 0.85 TDO2 (0.49) MAPTGAAALDH1A1KMT2AKDM4E
SCHEMBL16089612 0.85 TDO2 (0.49) MAPTGAAALDH1A1KMT2AKDM4E
SCHEMBL2182638 0.83 GRM5 (0.42) MAPTGAAALDH1A1KMT2AKDM4E
SCHEMBL22497669 0.82 HDAC1 (0.56) MAPTGAAALDH1A1KMT2AKDM4E
SCHEMBL4760604 0.79 MAPT (0.69) MAPTGAAALDH1A1KMT2AKDM4E
SCHEMBL29414655 0.79 MAPT (0.69) MAPTGAAALDH1A1KMT2AKDM4E
SCHEMBL2503575 0.78 HDAC1 (0.46) ALDH1A1KMT2AKDM4EMEN1HDAC3
SCHEMBL13270194 0.78 KMT2A (0.51) MAPTALDH1A1KMT2AKDM4EMEN1

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-111747933-B Substituted 1,3, 5-triazine compound, composition and application thereof 吉林省元合电子材料有限公司 2022-03-01 CN disclosed