SCHEMBL30168563

SCHEMBL30168563

CCC(=O)c1cc(OC)ccc1C1=NC(C)(C)CO1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
TYK2 P29597 1/20 0.35
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL6587388 1.00 SMN1; SMN2 (0.37) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL24077329 0.84 SMN1; SMN2 (0.38) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL12897084 0.83 KDM4E (0.42) KDM4ELMNAHRH3MAPT
SCHEMBL6587245 0.82 ALDH1A1 (0.49) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL6587148 0.81 POLB (0.46) NPC1RAB9A
SCHEMBL7447080 0.80 HSD17B10 (0.38) KDM4EHPGDHRH3HSD17B10
SCHEMBL9607174 0.78 KDM4E (0.42) SMN1; SMN2KDM4ENPC1HRH3MAPT
SCHEMBL20921291 0.77 KDM4E (0.43) KDM4ECYP1A2CYP2D6LMNAHRH3
SCHEMBL6701333 0.77 PTPN1 (0.45) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL24076875 0.76 ADRA1A (0.37) SMN1; SMN2KDM4ECYP1A2CYP2C19LMNA

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-4157823-A1 COMPOUNDS JANSSEN Pharmaceutica NV (BE) 2023-04-05 EP disclosed
CN-115667225-A Compound (I) 詹森药业有限公司 2023-01-31 CN disclosed