SCHEMBL31069248

SCHEMBL31069248

CCOC(=O)c1nc2n(c1-c1cccc(Cl)n1)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 3/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 3/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 2/20 0.38
TPH1 P17752 1/20 0.37
TPH2 Q8IWU9 1/20 0.37

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
SCHEMBL23645328 1.00 MAPT (0.44) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL21810872 0.86 MAPT (0.43) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL31069250 0.84 TGFBR1 (0.46) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL23645429 0.84 TGFBR1 (0.46) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL28635156 0.83 POLB (0.44) ALDH1A1RAB9AKDM4EKMT2AMEN1
SCHEMBL12683108 0.75 GRM5 (0.47) ALDH1A1RAB9ANPC1KDM4EHSD17B10
SCHEMBL23645338 0.73 MAPT (0.53) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL21357773 0.73 MAPT (0.53) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL23645315 0.71 NR4A2 (0.40) MAPTALDH1A1RAB9ANPC1KMT2A
SCHEMBL31069233 0.71 NR4A2 (0.40) MAPTALDH1A1RAB9ANPC1KMT2A

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
CN-112689636-B Novel heteroatom aromatic amide derivative and pharmaceutical agent containing same 科研制药株式会社 2024-08-20 CN disclosed