SCHEMBL18960378

SCHEMBL18960378

Cc1ccc(Oc2ccccc2)nc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 3/20 0.46
HPGD P15428 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTT P42858 3/20 0.45
BCAT2 O15382 1/20 0.44
LMNA P02545 2/20 0.42
MAP4K4 O95819 1/20 0.42
TSHR P16473 2/20 0.42
LTA4H P09960 1/20 0.42
PAX8 Q06710 1/20 0.41

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
Ammonia Solution, Strong SCHEMBL28506544 0.90 PPARG (0.43) MEN1KMT2AL3MBTL1MAPTMAPK1
Hydrochloric Acid SCHEMBL28515429 0.88 PPARG (0.43) MEN1KMT2AL3MBTL1MAPTMAPK1
SCHEMBL18960386 0.81 MAP4K4 (0.44) MEN1KMT2AL3MBTL1MAPTMAPK1
SCHEMBL28245881 0.81 MEN1 (0.44) MEN1KMT2AL3MBTL1MAPTMAPK1
SCHEMBL11169364 0.81 MAPT (0.49) MEN1KMT2AL3MBTL1MAPTMAPK1
SCHEMBL26137908 0.81 KMT2A (0.44) MEN1KMT2AL3MBTL1MAPTMAPK1
SCHEMBL18957388 0.81 BCAT2 (0.50) MEN1KMT2AL3MBTL1MAPTMAPK1
SCHEMBL19421238 0.78 MAPT (0.41) MEN1KMT2AL3MBTL1MAPTMAPK1
SCHEMBL11261915 0.77 SMN1; SMN2 (0.48) MEN1KMT2AL3MBTL1MAPTMAPK1
SCHEMBL5526629 0.77 MEN1 (0.41) MEN1KMT2AL3MBTL1MAPTMAPK1

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-2017100668-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2017-06-15 WO disclosed