SCHEMBL29125285

SCHEMBL29125285

COc1ccc(COc2cc(C)nc3ccc(N4CCOCC4)cc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
KMT2A Q03164 5/20 0.55
MAPK1 P28482 2/20 0.55
POLB P06746 2/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 6/20 0.50
RAB9A P51151 4/20 0.50
MEN1 O00255 4/20 0.50
NPC1 O15118 3/20 0.50
P2RY12 Q9H244 1/20 0.49
HPGD P15428 3/20 0.47
GAA P10253 2/20 0.47
GLA P06280 1/20 0.47
APP P05067 1/20 0.47
CSF1R P07333 3/20 0.47
KIT P10721 2/20 0.47
CYP1A2 P05177 1/20 0.45

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
SCHEMBL25824173 0.83 KMT2A (0.57) MAPTSMN1; SMN2KMT2AMAPK1POLB
SCHEMBL30594968 0.81 TLR9 (0.56) MAPTSMN1; SMN2KMT2ATSHRMEN1
SCHEMBL29125321 0.81 TLR9 (0.56) MAPTSMN1; SMN2KMT2ATSHRMEN1
SCHEMBL24010843 0.79 MAPT (0.53) MAPTSMN1; SMN2KMT2AMAPK1POLB
SCHEMBL29125294 0.79 ALOX5 (0.52) MAPTSMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL21178159 0.79 P2RY12 (0.48) MAPTSMN1; SMN2KDM4EALDH1A1RAB9A
SCHEMBL17827823 0.78 RAB9A (0.52) MAPTSMN1; SMN2KMT2AMAPK1POLB
SCHEMBL29125324 0.78 KCNH2 (0.44) MAPTSMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL24006170 0.78 MAPT (0.51) MAPTSMN1; SMN2KMT2AMAPK1POLB
SCHEMBL2424254 0.77 PRKDC (0.58) SMN1; SMN2RAB9AP2RY12KIT

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-117024404-A Benzopyridine derivatives and uses thereof 四川汇宇制药股份有限公司 2023-11-10 CN disclosed