SCHEMBL16638708

SCHEMBL16638708

CC(C)(C)c1ccc(OCc2ccncn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.47
HRH3 Q9Y5N1 4/20 0.47
POLB P06746 3/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NR4A2 P43354 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.42
KIF11 P52732 1/20 0.42
TP53 P04637 1/20 0.42
SYK P43405 1/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39

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
SCHEMBL24921331 0.85 RAB9A (0.40) APPHRH3POLBRAB9ALMNA
SCHEMBL13144613 0.81 SMN1; SMN2 (0.47) RAB9ALMNASMN1; SMN2SYKAURKB
SCHEMBL10212057 0.79 ALDH1A1 (0.58) APPHRH3POLBRAB9ALMNA
SCHEMBL13439784 0.78 APP (0.65) APPHRH3POLBRAB9ALMNA
SCHEMBL10212095 0.77 HRH3 (0.50) APPHRH3POLBRAB9ALMNA
SCHEMBL865233 0.75 SYK (0.37) LMNASMN1; SMN2SYKAURKBINCENP
SCHEMBL23538050 0.74 CYP2D6 (0.38) LMNAKMT2ASMN1; SMN2MAPTSYK
SCHEMBL24481353 0.74 AR (0.56) HRH3POLBRAB9ALMNAATM
SCHEMBL29580252 0.74 GRM5 (0.41) POLBRAB9ALMNAATML3MBTL1
SCHEMBL10033144 0.73 RAB9A (0.55) HRH3POLBRAB9ALMNAMEN1

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-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed