SCHEMBL29925697

SCHEMBL29925697

CCOC(=O)c1ccc2[nH]ncc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 6/20 0.60
WNT3A P56704 6/20 0.60
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
DHODH Q02127 1/20 0.55
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HCRTR1 O43613 2/20 0.52
JAK2 O60674 1/20 0.52
JAK3 P52333 1/20 0.52
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL145658 1.00 CTNNB1 (0.60) CTNNB1WNT3AMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL9959381 0.99 CTNNB1 (0.59) CTNNB1WNT3AMEN1KMT2ASMN1; SMN2
SCHEMBL562951 0.88 MEN1 (0.65) CTNNB1WNT3AMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL731312 0.87 MEN1 (0.64) CTNNB1WNT3AMEN1KMT2ASMN1; SMN2
SCHEMBL16596006 0.86 DHODH (0.59) CTNNB1WNT3AMEN1KMT2ASMN1; SMN2
SCHEMBL24076596 0.86 ROCK2 (0.56) JAK2JAK3MMP2MMP13
SCHEMBL6017068 0.85 CTNNB1 (0.53) CTNNB1WNT3AMEN1KMT2ARAB9A
SCHEMBL4414068 0.84 CTNNB1 (0.53) CTNNB1WNT3AMEN1KMT2ACYP2D6
Urethane SCHEMBL5780178 0.83 CTNNB1 (0.55) CTNNB1WNT3AMEN1KMT2ASMN1; SMN2
SCHEMBL29643714 0.83 NPC1 (0.58) CTNNB1WNT3AMEN1KMT2ARAB9A

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-4308570-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS Les Laboratoires Servier (FR) 2024-01-24 EP disclosed
WO-2022194976-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS LES LABORATOIRES SERVIER (FR) 2022-09-22 WO disclosed