SCHEMBL29428404

SCHEMBL29428404

CC(C=Cc1ccc(F)cc1)NCc1ccco1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.54
HPGD P15428 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
POLB P06746 3/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ATM Q13315 1/20 0.47
KCNH3 Q9ULD8 2/20 0.41
ALDH1A1 P00352 4/20 0.39
MAPT P10636 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL28369258 1.00 L3MBTL1 (0.54) L3MBTL1HPGDMEN1KMT2APOLB
SCHEMBL29428414 0.87 ALDH1A1 (0.51) L3MBTL1HPGDMEN1KMT2APOLB
SCHEMBL28365257 0.87 ALDH1A1 (0.51) L3MBTL1HPGDMEN1KMT2APOLB
SCHEMBL28368922 0.86 RAB9A (0.46) L3MBTL1HPGDMEN1KMT2APOLB
SCHEMBL29428411 0.86 RAB9A (0.46) L3MBTL1HPGDMEN1KMT2APOLB
SCHEMBL28838299 0.84 ALDH1A1 (0.55) L3MBTL1HPGDMEN1KMT2APOLB
SCHEMBL28838296 0.84 ALDH1A1 (0.55) L3MBTL1HPGDMEN1KMT2APOLB
SCHEMBL28884428 0.80 POLB (0.50) L3MBTL1HPGDMEN1KMT2APOLB
SCHEMBL29428446 0.80 POLB (0.50) L3MBTL1HPGDMEN1KMT2APOLB
SCHEMBL28365259 0.72 ALDH1A1 (0.41) L3MBTL1HPGDMEN1KMT2APOLB

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-110734378-B Method for preparing chiral allylamine compound with high chemistry and stereoselectivity 武汉大学 2022-02-15 CN disclosed