SCHEMBL29176205

SCHEMBL29176205

Cc1ncc(N2CCCC2)cc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
GFER P55789 1/20 0.42
YWHAG P61981 1/20 0.42
HSD17B10 Q99714 1/20 0.42
IP6K1 Q92551 1/20 0.42
HTT P42858 1/20 0.41
NPC1 O15118 2/20 0.41
CDC7 O00311 2/20 0.40
CDK9 P50750 1/20 0.40

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
SCHEMBL30811722 1.00 MKNK1 (0.44) MKNK1MKNK2CHRNB2CHRNA4SMN1; SMN2
SCHEMBL3343696 0.74 IP6K1 (0.55) SMN1; SMN2KDM4EMEN1KMT2AMAPT
SCHEMBL30711736 0.72 PARP1 (0.53) MKNK1MKNK2SMN1; SMN2KDM4EKMT2A
SCHEMBL17382227 0.72 PARP1 (0.53) MKNK1MKNK2SMN1; SMN2KDM4EKMT2A
SCHEMBL30811705 0.71 CHRNB2 (0.49) CHRNB2CHRNA4KDM4EMAPT
SCHEMBL20998610 0.71 BTK (0.46) MKNK1MKNK2NPC1SYKRAB9A
SCHEMBL24364823 0.71 NNMT (0.43) KDM4EMEN1KMT2APARP1
SCHEMBL19145095 0.71 CHRNB2 (0.51) CHRNB2CHRNA4KDM4E
SCHEMBL28617172 0.71 LMNA (0.44) SMN1; SMN2KDM4EKMT2APARP1
SCHEMBL31652322 0.70 IP6K1 (0.50) KDM4EMEN1KMT2AMAPTHSD17B10

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-117720533-A MetTL3 inhibitor compound and pharmaceutical composition and application thereof 北京华益健康药物研究中心 2024-03-19 CN disclosed