SCHEMBL8425600

SCHEMBL8425600

CCc1ccccc1NC=C1C(=O)N(c2ccc(NC(=O)CNc3ccccc3CC)cc2)N=C1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
KAT8 Q9H7Z6 7/20 0.41
KDM4E B2RXH2 1/20 0.38
HSP90AA1 P07900 1/20 0.38
GRK2 P25098 1/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NOTUM Q6P988 1/20 0.37
HDAC1 Q13547 1/20 0.37
EP300 Q09472 3/20 0.37
OPRK1 P41145 1/20 0.36

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
SCHEMBL8424096 0.90 MAPT (0.43) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL6948078 0.88 KAT8 (0.43) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL6948075 0.88 KAT8 (0.43) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL8425597 0.84 KAT8 (0.40) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL8425593 0.84 KAT8 (0.40) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL6949462 0.83 KAT8 (0.60) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL8008959 0.83 KAT8 (0.60) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL6946831 0.82 KAT8 (0.56) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL6949450 0.82 KAT8 (0.56) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL6951498 0.81 L3MBTL1 (0.54) MEN1KMT2AALDH1A1MAPTHTT

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
US-5869516-A 4-(arylaminomethylene)-2,4-dihydro-3-pyrazolones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-02-09 US disclosed