SCHEMBL21733358

SCHEMBL21733358

CC(C)c1c(I)ccc2cn[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.39
HTT P42858 3/20 0.39
NOS1 P29475 4/20 0.38
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
PTK2 Q05397 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
FGFR1 P11362 2/20 0.33
PLK4 O00444 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
MAP4K4 O95819 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
PDGFRA P16234 1/20 0.33

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
SCHEMBL18408662 0.84 MAPT (0.58) MAPTALDH1A1HTTNOS1KDM4E
SCHEMBL16746095 0.80 MAPT (0.44) MAPTALDH1A1HTTNOS1KDM4E
SCHEMBL20315037 0.79 MAPT (0.43) MAPTALDH1A1HTTNOS1KDM4E
SCHEMBL19304119 0.79 NOS1 (0.50) MAPTALDH1A1HTTNOS1KDM4E
SCHEMBL26290444 0.75 MAPT (0.40) MAPTALDH1A1HTTNOS1KDM4E
SCHEMBL23564658 0.71 MAPT (0.43) MAPTALDH1A1HTTNOS1PTK2
SCHEMBL21733576 0.71 MAPT (0.43) MAPTALDH1A1HTTNOS1KDM4E
SCHEMBL25510943 0.70 MAPT (0.42) MAPTALDH1A1HTTNOS1KDM4E
SCHEMBL24648990 0.69 MAPT (0.49) MAPTALDH1A1HTTNOS1KDM4E
SCHEMBL20883608 0.68 NOS1 (0.46) MAPTALDH1A1HTTNOS1KDM4E

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-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 WO disclosed