SCHEMBL30434880

SCHEMBL30434880

Cc1ccnc(Cl)c1NC(=O)c1cccnc1NC1CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.43
MAPK14 Q16539 2/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TRPA1 O75762 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 4/20 0.39
NPC1 O15118 2/20 0.39
CLCN2 P51788 1/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 1/20 0.38
RAB9A P51151 2/20 0.38
TOP1 P11387 1/20 0.37
EGFR P00533 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
SCHEMBL30434727 1.00 LCK (0.43) LCKMAPK14KMT2AL3MBTL1TRPA1
SCHEMBL1923555 1.00 LCK (0.43) LCKMAPK14KMT2AL3MBTL1TRPA1
SCHEMBL14031772 0.91 KMT2A (0.42) LCKMAPK14KMT2AL3MBTL1TRPA1
SCHEMBL14309698 0.90 KMT2A (0.46) LCKMAPK14KMT2AL3MBTL1TRPA1
SCHEMBL30954726 0.86 KMT2A (0.41) KMT2AL3MBTL1TRPA1ALDH1A1MAPT
SCHEMBL30435330 0.86 LMNA (0.42) LCKMAPK14KMT2AL3MBTL1TRPA1
SCHEMBL29036570 0.86 LMNA (0.42) LCKMAPK14KMT2AL3MBTL1TRPA1
SCHEMBL445410 0.84 KMT2A (0.44) LCKMAPK14KMT2AL3MBTL1TRPA1
SCHEMBL30435397 0.84 KMT2A (0.44) LCKMAPK14KMT2AL3MBTL1TRPA1
SCHEMBL1923392 0.83 NPC1 (0.55) KMT2AL3MBTL1ALDH1A1MAPTLMNA

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
CN-116925076-A Nevirapine intermediate compound and preparation method and application thereof 山东新时代药业有限公司 2023-10-24 CN disclosed
CN-116410129-A Nevirapine intermediate compound 山东新时代药业有限公司 2023-07-11 CN disclosed