SCHEMBL24547620

SCHEMBL24547620

O=C(Nc1cnn(C2CCC(CO)O2)c(=O)n1)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 7/20 0.49
▸ RIN1 Q13671 1/20 0.49
▸ HPGD P15428 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALB P02768 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ DYRK1A Q13627 3/20 0.36
▸ WNT1 P04628 2/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ ADORA2B P29275 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ CLK2 P49760 1/20 0.34

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
SCHEMBL24547564 1.00 ABL1 (0.49) ABL1RIN1HPGDALDH1A1LMNA
SCHEMBL24547646 0.95 ABL1 (0.47) ABL1RIN1HPGDALDH1A1LMNA
SCHEMBL24547566 0.84 ABL1 (0.46) ABL1RIN1ALDH1A1LMNAPOLB
SCHEMBL24547640 0.84 ABL1 (0.46) ABL1RIN1ALDH1A1LMNAPOLB
SCHEMBL24547500 0.83 ABL1 (0.45) ABL1RIN1HPGDALDH1A1LMNA
SCHEMBL24547475 0.83 ABL1 (0.45) ABL1RIN1HPGDALDH1A1LMNA
SCHEMBL24547599 0.81 DNMT1 (0.45) ALDH1A1LMNAPOLBSMN1; SMN2DYRK1A
SCHEMBL17591088 0.81 ABL1 (0.45) ABL1RIN1ALDH1A1LMNAPOLB
SCHEMBL19215382 0.81 ABL1 (0.45) ABL1RIN1ALDH1A1LMNAPOLB
SCHEMBL24547602 0.80 SMN1; SMN2 (0.40) ABL1RIN1HPGDALDH1A1LMNA

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-2022133323-A1 6-AZA-NUCLEOSIDE PRODRUGS AS ANTIVIRAL AGENTS FOR TREATING VIRUS INFECTIONS SOUTHERN RESEARCH INSTITUTE (US) 2022-06-23 — — WO disclosed
Send feedback