SCHEMBL25515431

SCHEMBL25515431

C[C@H](N)[C@@H](O)c1cc2ccccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.51
CYP2D6 P10635 1/20 0.51
FLT3 P36888 1/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2C P18825 1/20 0.46
ALDH1A1 P00352 4/20 0.44
THRB P10828 1/20 0.43
HSD17B10 Q99714 2/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
MGLL Q99685 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAOB P27338 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL30905597 1.00 HIF1A (0.51) HIF1ACYP2D6FLT3KDM4ELMNA
SCHEMBL14587017 0.85 CYP2D6 (0.54) HIF1ACYP2D6FLT3KDM4ELMNA
SCHEMBL140396 0.81 ALDH1A1 (0.49) HIF1ACYP2D6FLT3LMNAALDH1A1
SCHEMBL4047365 0.81 CYP2D6 (0.57) HIF1ACYP2D6FLT3KDM4ELMNA
SCHEMBL28457667 0.81 ALDH1A1 (0.49) HIF1ACYP2D6FLT3LMNAALDH1A1
SCHEMBL12087087 0.81 ALDH1A1 (0.49) HIF1ACYP2D6FLT3LMNAALDH1A1
SCHEMBL29793846 0.81 ALDH1A1 (0.49) HIF1ACYP2D6FLT3LMNAALDH1A1
SCHEMBL28591305 0.81 CYP2D6 (0.57) HIF1ACYP2D6FLT3KDM4ELMNA
Iodide SCHEMBL28674175 0.79 ALDH1A1 (0.47) HIF1ACYP2D6FLT3LMNAALDH1A1
Hydrochloric Acid SCHEMBL9826498 0.79 ALDH1A1 (0.47) HIF1ACYP2D6FLT3LMNAALDH1A1

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
WO-2023081306-A1 INDOLIZINE COMPOUNDS FOR THE TREATMENT OF MENTAL DISORDERS OR MENTAL ENHANCEMENT TACTOGEN INC (US) 2023-05-11 WO disclosed