SCHEMBL23852182

SCHEMBL23852182

N=C(N)c1ccccc1NCC1CCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 2/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
HPGD P15428 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
KCNH3 Q9ULD8 1/20 0.40
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.38
ALOX15 P16050 2/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
GBA1 P04062 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAB9A P51151 2/20 0.37
RCE1 Q9Y256 1/20 0.36

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
SCHEMBL30002422 0.81 HPGD (0.50) ALDH1A1NPC1HPGDKDM4EHSD17B10
SCHEMBL29668628 0.81 HPGD (0.50) ALDH1A1NPC1HPGDKDM4EHSD17B10
SCHEMBL29668727 0.77 KDM4E (0.65) ALDH1A1NPC1HPGDKDM4EHSD17B10
SCHEMBL4536599 0.77 KMT2A (0.47) ALDH1A1NPC1AURKARPS6KB1HPGD
SCHEMBL30233310 0.76 KCNH3 (0.44) ALDH1A1NPC1HPGDKDM4EHSD17B10
SCHEMBL28963497 0.71 KDM4E (0.74) ALDH1A1NPC1HPGDKDM4EHSD17B10
SCHEMBL20797890 0.70 KCNH3 (0.55) ALDH1A1NPC1HPGDKDM4EKCNH3
SCHEMBL23852691 0.70 KDM4E (0.49) ALDH1A1NPC1HPGDKDM4EHSD17B10
SCHEMBL1962657 0.70 KCNH3 (0.55) ALDH1A1NPC1HPGDKDM4EKCNH3
SCHEMBL21501690 0.69 KDM4E (0.56) ALDH1A1HPGDKDM4EHSD17B10KMT2A

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
EP-3883928-A1 GLP-1R AGONISTS AND USES THEREOF Qilu Regor Therapeutics Inc. (CN) 2021-09-29 EP disclosed