SCHEMBL31029422

SCHEMBL31029422

CC(C)Nc1ncnc(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
LMNA P02545 5/20 0.42
HTT P42858 4/20 0.42
HPGD P15428 4/20 0.41
NPC1 O15118 4/20 0.41
TP53 P04637 4/20 0.41
RAB9A P51151 4/20 0.41
HSD17B10 Q99714 4/20 0.41
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAP4K4 O95819 2/20 0.39
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 2/20 0.36
PDE10A Q9Y233 1/20 0.35
BCL6 P41182 1/20 0.34
GAA P10253 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
SCHEMBL28505552 0.80 SMN1; SMN2 (0.40) SMN1; SMN2LMNAHTTHPGDNPC1
SCHEMBL2480481 0.80 GALR3 (0.45) SMN1; SMN2LMNAHTTHPGDNPC1
SCHEMBL11717809 0.77 SMN1; SMN2 (0.38) SMN1; SMN2LMNAHTTHPGDNPC1
SCHEMBL14782611 0.76 PDPK1 (0.39) SMN1; SMN2LMNAHTTKDM4EMEN1
SCHEMBL11904205 0.76 TDP1 (0.38) SMN1; SMN2LMNAHTTHPGDNPC1
SCHEMBL20575177 0.75 EGFR (0.52)
SCHEMBL20575176 0.75 EGFR (0.52)
SCHEMBL13472315 0.74 HPGD (0.39) SMN1; SMN2LMNAHTTHPGDNPC1
SCHEMBL4665922 0.73 CA1 (0.50) SMN1; SMN2LMNAHTTHPGDNPC1
SCHEMBL10501775 0.71 TDP1 (0.40) SMN1; SMN2LMNAHTTHPGDNPC1

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-112300133-B Heterocyclic compound and application thereof 深圳微芯生物科技股份有限公司 2024-07-30 CN disclosed