SCHEMBL13147676

SCHEMBL13147676

Cc1ccc(-c2cc(N)nc(-n3ccc(C(F)(F)F)n3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.45
MAPT P10636 6/20 0.44
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
SDHB P21912 1/20 0.42
IDH1 O75874 4/20 0.41
IDH2 P48735 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 5/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.39
GLA P06280 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
SCHEMBL13147678 0.88 MAPT (0.54) PRMT6MAPTALDH1A1SMN1; SMN2IDH1
SCHEMBL13147663 0.87 SMN1; SMN2 (0.56) PRMT6MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL578404 0.86 MAPT (0.47) PRMT6MAPTALDH1A1SMN1; SMN2SDHB
SCHEMBL577945 0.83 MAPT (0.47) MAPTALDH1A1SMN1; SMN2SDHBMEN1
SCHEMBL13147685 0.80 SMN1; SMN2 (0.44) PRMT6MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL577847 0.78 PRMT6 (0.40) PRMT6MAPTALDH1A1SMN1; SMN2SDHB
SCHEMBL577980 0.74 KDM4E (0.52) MAPTALDH1A1SMN1; SMN2IDH1IDH2
SCHEMBL578368 0.73 MAPT (0.58) MAPTALDH1A1SMN1; SMN2IDH1IDH2
SCHEMBL13719485 0.73 IDH1 (0.51) PRMT6MAPTALDH1A1SMN1; SMN2IDH1
SCHEMBL578010 0.73 ALDH1A1 (0.56) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed