SCHEMBL29543738

SCHEMBL29543738

Cc1ncccc1-n1cccn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
NPC1 O15118 2/20 0.49
KDM4E B2RXH2 4/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
G6PD P11413 1/20 0.46
ADRA2A P08913 1/20 0.40
ADRA1A P35348 1/20 0.40
NOTUM Q6P988 1/20 0.40
TDO2 P48775 1/20 0.40
NPSR1 Q6W5P4 1/20 0.35
RAB9A P51151 1/20 0.35
GRM5 P41594 1/20 0.35

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
SCHEMBL2172244 1.00 MAPK1 (0.49) MAPK1NPC1KDM4EMAPTALDH1A1
SCHEMBL28300532 0.78 MAPK1 (0.50) MAPK1NPC1KDM4EMAPTALDH1A1
SCHEMBL4240540 0.77 MAPK1 (0.49) MAPK1NPC1KDM4EMAPTALDH1A1
SCHEMBL2592400 0.77 MAPK1 (0.49) MAPK1NPC1KDM4EMAPTALDH1A1
SCHEMBL4341886 0.77 MAPK1 (0.67) MAPK1NPC1KDM4EMAPTALDH1A1
SCHEMBL18338833 0.77 MAPK1 (0.45) MAPK1NPC1KDM4EMAPTALDH1A1
SCHEMBL26342753 0.77 NPC1 (0.45) MAPK1NPC1KDM4EMAPTALDH1A1
SCHEMBL29417843 0.76 MAPK1 (0.56) MAPK1NPC1KDM4EMAPTALDH1A1
SCHEMBL2454736 0.76 MAPK1 (0.56) MAPK1NPC1KDM4EMAPTALDH1A1
SCHEMBL10262373 0.76 MAPK1 (0.47) MAPK1NPC1KDM4EMAPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4214197-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS SARM1 INHIBITORS Nura Bio, Inc. (US) 2023-07-26 EP disclosed
WO-2022060812-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS SARM1 INHIBITORS NURA BIO, INC. (US) 2022-03-24 WO disclosed