SCHEMBL27299802

SCHEMBL27299802

NCc1ccc(Oc2ccc(F)c(F)c2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.46
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
MAOB P27338 7/20 0.39
AOC3 Q16853 1/20 0.39
TRPA1 O75762 1/20 0.39
SOS1 Q07889 1/20 0.39
LOXL2 Q9Y4K0 2/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
POLB P06746 1/20 0.38
LOX P28300 1/20 0.37
BRCA1 P38398 1/20 0.36
HBB P68871 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL27299885 0.87 KDM4E (0.47) KDM4EMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL30744447 0.83 MEN1 (0.63) KDM4EMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL4380974 0.83 MEN1 (0.63) KDM4EMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL14667691 0.82 RAB9A (0.46) MAP4K4KDM4EMEN1KMT2AALDH1A1
SCHEMBL9904964 0.82 MAP4K4 (0.41) MAP4K4KDM4EMEN1KMT2AALDH1A1
SCHEMBL27299560 0.81 MAOB (0.50) MAP4K4KDM4EMEN1KMT2AALDH1A1
SCHEMBL14656491 0.80 GABRP (0.44) MAP4K4ALDH1A1L3MBTL1MAOBSLC1A3
SCHEMBL9045204 0.80 MAOB (0.53) KDM4EMEN1KMT2AL3MBTL1ST14
SCHEMBL14667690 0.79 ALDH1A1 (0.45) MAP4K4KDM4EMEN1KMT2AALDH1A1
SCHEMBL8309377 0.79 AGXT (0.49) KDM4EMEN1KMT2AALDH1A1ST14

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
WO-2024029489-A1 KIT INHIBITORS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MODULUS DISCOVERY, INC. (JP) 2024-02-08 WO disclosed