SCHEMBL31059902

SCHEMBL31059902

COC(=O)c1c(C)nc(C)c(C(=O)OCCN(C)Cc2ccccc2)c1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.57
LMNA P02545 5/20 0.57
KDM4E B2RXH2 3/20 0.57
MAPT P10636 3/20 0.57
ALDH1A1 P00352 2/20 0.57
GAA P10253 2/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
HPGD P15428 1/20 0.57
ADORA3 P0DMS8 2/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
TDP1 Q9NUW8 2/20 0.44

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
SCHEMBL6955804 0.88 LMNA (0.60) SMN1; SMN2LMNAKDM4EMAPTALDH1A1
SCHEMBL10617286 0.81 ALDH1A1 (0.44) SMN1; SMN2LMNAKDM4EMAPTALDH1A1
SCHEMBL5166558 0.79 SMN1; SMN2 (0.75) SMN1; SMN2LMNAKDM4EMAPTALDH1A1
SCHEMBL10621796 0.79 ALDH1A1 (0.43) SMN1; SMN2LMNAKDM4EMAPTALDH1A1
Hydrochloric Acid SCHEMBL11068950 0.78 SMN1; SMN2 (0.50) SMN1; SMN2LMNAKDM4EMAPTALDH1A1
SCHEMBL6958448 0.76 SMN1; SMN2 (0.69) SMN1; SMN2LMNAKDM4EMAPTALDH1A1
SCHEMBL28410690 0.76 SMN1; SMN2 (0.49) SMN1; SMN2LMNAKDM4EMAPTALDH1A1
SCHEMBL15976546 0.74 ALDH1A1 (1.00) SMN1; SMN2LMNAKDM4EMAPTALDH1A1
SCHEMBL9235617 0.73 ALDH1A1 (0.48) SMN1; SMN2LMNAKDM4EMAPTALDH1A1
SCHEMBL4838616 0.73 SMN1; SMN2 (0.97) SMN1; SMN2LMNAMAPTALDH1A1GAA

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-4662202-A1 PYRIDINE AND DIHYDROPYRIDINE COMPOUNDS AND USES THEREOF Clark Atlanta University, Inc. (US) 2025-12-17 EP disclosed
WO-2024167861-A1 PYRIDINE AND DIHYDROPYRIDINE COMPOUNDS AND USES THEREOF CLARK ATLANTA UNIVERSITY, INC. (US) 2024-08-15 WO disclosed