SCHEMBL24600792

SCHEMBL24600792

O=C(O)[C@@H]1CC[C@H](n2cnc3c(Cl)nc(Cl)nc32)O1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.47
▸ TP53 P04637 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ PNP P00491 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ YTHDC1 Q96MU7 1/20 0.41
▸ P2RX7 Q99572 1/20 0.40
▸ ADORA3 P0DMS8 3/20 0.39
▸ CYP1A2 P05177 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
SCHEMBL12826793 0.88 PDE4D (0.55) LMNATP53PNPHTTPDE4D
SCHEMBL19003221 0.84 PDE4A (0.43) LMNATP53ALDH1A1PDE4DP2RX7
SCHEMBL14276903 0.80 LMNA (0.48) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL23585882 0.79 LMNA (0.57) LMNATP53ALDH1A1TDP1PNP
SCHEMBL11959962 0.77 LMNA (0.61) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL26030330 0.77 LMNA (0.61) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL15713278 0.74 NT5E (0.49) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL23585953 0.74 NT5E (0.50) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL4151824 0.73 YTHDC1 (0.66) LMNATP53ALDH1A1PNPHTT
SCHEMBL30332447 0.72 LMNA (0.50) LMNATP53ALDH1A1MAPTTDP1

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-4273153-A1 ADENOSINE A3 RECEPTOR AGONISTS, PREPARATION METHODS AND USES THEREOF Zhejiang Vimgreen Pharmaceuticals, Ltd (CN) 2023-11-08 — — EP disclosed
WO-2022143740-A1 ADENOSINE A3 RECEPTOR AGONIST, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江春禾医药科技有限公司 2022-07-07 — — WO disclosed
Send feedback