SCHEMBL29618385

SCHEMBL29618385

COc1cc(NC(=O)c2cnc3c(c2)CCCC3)cnn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 6/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
TP53 P04637 2/20 0.37
POLB P06746 2/20 0.37
TSHR P16473 1/20 0.36
STAT1 P42224 1/20 0.36
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
NAMPT P43490 1/20 0.35
LMNA P02545 2/20 0.35

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
SCHEMBL29618378 0.85 KCNK3 (0.48) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL29618337 0.83 KCNK3 (0.48) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL5054886 0.74 KDM4E (0.45) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL7912928 0.73 KDM4E (0.44) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL29618311 0.71 SPR (0.45) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL7916724 0.71 ADRA2A (0.41) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL24517541 0.69 SCN10A (0.55)
SCHEMBL22792003 0.69 SMN1; SMN2 (0.63) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL29618400 0.69 SMN1; SMN2 (0.48) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL5060694 0.69 ADRA2A (0.47) RAB9ANPC1SMN1; SMN2MAPTALDH1A1

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
WO-2022121805-A1 FUSED RING COMPOUND AS NAV1.8 INHIBITOR AND USE THEREOF 成都康弘药业集团股份有限公司 2022-06-16 WO disclosed
CN-114591293-A Fused ring compound as Nav1.8 inhibitor and application thereof 成都康弘药业集团股份有限公司 2022-06-07 CN disclosed