SCHEMBL25810893

SCHEMBL25810893

CCOC(=O)c1cc2ccc(NCCNC)cc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.60
MMP13 P45452 8/20 0.55
RAB9A P51151 4/20 0.54
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 3/20 0.54
NPC1 O15118 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 2/20 0.54
MEN1 O00255 1/20 0.54
GLA P06280 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
ATM Q13315 1/20 0.54
MMP2 P08253 6/20 0.53
HSD17B10 Q99714 1/20 0.52
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49

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
SCHEMBL25810895 0.83 EIF4A3 (0.50) ALOX15RAB9AKDM4EALDH1A1HPGD
SCHEMBL28593758 0.82 MMP13 (0.67) ALOX15MMP13RAB9AKDM4EALDH1A1
SCHEMBL28687276 0.81 MMP13 (0.81) ALOX15MMP13RAB9AKDM4EALDH1A1
SCHEMBL28678169 0.79 MMP13 (0.82) ALOX15MMP13RAB9AKDM4EALDH1A1
SCHEMBL2465902 0.78 ALOX15 (0.70) ALOX15MMP13RAB9AKDM4EALDH1A1
SCHEMBL5623372 0.77 KDM4E (0.78) ALOX15MMP13RAB9AKDM4EALDH1A1
SCHEMBL14700555 0.77 MMP13 (0.67) ALOX15MMP13RAB9AKDM4EALDH1A1
SCHEMBL1319990 0.77 RAB9A (0.80) ALOX15MMP13RAB9AKDM4EALDH1A1
SCHEMBL7380603 0.77 ALOX15 (0.68) ALOX15MMP13RAB9AKDM4EALDH1A1
SCHEMBL71101 0.76 ALOX15 (0.72) ALOX15MMP13RAB9AKDM4EALDH1A1

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-2023125376-A1 FUSED BICYCLIC HETEROARYL AMIDE COMPOUND AS PROTEIN AGGREGATION INHIBITOR 上海京新生物医药有限公司 2023-07-06 WO disclosed