SCHEMBL9986644

SCHEMBL9986644

Fc1cccc(-n2[c]cc3ccccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
METAP2 P50579 1/20 0.38
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
KEAP1 Q14145 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NOTUM Q6P988 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
BPTF Q12830 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 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
SCHEMBL718221 0.80 KDM4E (0.37) KMT2AL3MBTL1ALDH1A1TSHRHTT
SCHEMBL7781747 0.77 HTR3A (0.43) NOTUMCYP1A2CYP2A6ALDH1A1POLB
SCHEMBL29136204 0.73 HTT (0.45) MEN1KMT2AL3MBTL1ALDH1A1POLB
SCHEMBL13045101 0.69 BIRC5 (0.51) FAAHMGLLMETAP2KEAP1SLC6A2
SCHEMBL30918020 0.67 CYP11B2 (0.54) ADORA3ADORA2AADORA1POLB
SCHEMBL20239638 0.66 L3MBTL1 (0.59) FAAHMGLLMETAP2ADORA3ADORA2A
SCHEMBL2073630 0.64 CDK4 (0.32) KMT2ACYP2A6SLC6A2ALDH1A1MAPT
SCHEMBL650735 0.64 NOS2 (0.34) L3MBTL1NOTUMCYP1A2CYP2A6ALDH1A1
SCHEMBL16720346 0.64 HPGDS (0.39) FAAHMGLLMETAP2KEAP1KMT2A
SCHEMBL29136188 0.63 RAB9A (0.42) MEN1KMT2AALDH1A1POLBMAPT

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-2011163195-A1 FUSED PYRROLE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-12-29 WO disclosed