SCHEMBL29129573

SCHEMBL29129573

CCCCCCCCCCCCCCCOc1ccc(N)cc1N.CCCCCCCCCCCCCCOc1ccc(N)cc1N

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.74
ALDH1A1 P00352 2/20 0.74
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
KDM4E B2RXH2 1/20 0.74
USP2 O75604 1/20 0.74
TP53 P04637 1/20 0.74
POLB P06746 1/20 0.74
GAA P10253 1/20 0.74
CASP1 P29466 1/20 0.74
HTT P42858 1/20 0.74
CASP7 P55210 1/20 0.74
ATM Q13315 1/20 0.74
TSHR P16473 1/20 0.56
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
PRSS1 P07477 6/20 0.50
TLR8 Q9NR97 2/20 0.48
CHUK O15111 1/20 0.47

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
SCHEMBL29372752 1.00 MAPT (0.74) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL1554742 1.00 MAPT (0.74) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL136319 1.00 MAPT (0.74) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL1553881 1.00 MAPT (0.74) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL139064 1.00 MAPT (0.74) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL23014013 1.00 MAPT (0.74) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL137994 1.00 MAPT (0.74) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL350101 1.00 MAPT (0.74) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL15043142 1.00 MAPT (0.74) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL29374893 1.00 MAPT (0.74) MAPTALDH1A1MEN1KMT2AKDM4E

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-117280278-A Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal display element, diamine, and polymer 日产化学株式会社 2023-12-22 CN disclosed