SCHEMBL9987445

SCHEMBL9987445

CCNC(=O)Oc1c(Br)c2ccccc2n1-c1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.40
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 3/20 0.37
LMNA P02545 1/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
ELANE P08246 1/20 0.36
HTT P42858 1/20 0.36
NOTUM Q6P988 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
TSPO P30536 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL9987354 0.87 REN (0.38) RENHPGDLMNAMTNR1AMTNR1B
SCHEMBL13737647 0.70 PLA2G2A (0.43) RENALDH1A1L3MBTL1HPGDMTNR1A
SCHEMBL9987443 0.70 NOTUM (0.42) RENALDH1A1L3MBTL1HPGDLMNA
SCHEMBL9987983 0.69 PDE4B (0.48) ALDH1A1HPGDLMNATP53MAPT
SCHEMBL12035266 0.69 CTSS (0.38) ALDH1A1L3MBTL1HPGDLMNAHTT
SCHEMBL7606599 0.68 NPC1 (0.45)
SCHEMBL20239638 0.67 L3MBTL1 (0.59) L3MBTL1NOTUMKDM4E
SCHEMBL9986663 0.66 VCP (0.36) RENL3MBTL1NOTUMKDM4E
SCHEMBL12074546 0.66 ALDH1A1 (0.44) ALDH1A1L3MBTL1HPGDNOTUMMAPT
SCHEMBL9987074 0.65 NOTUM (0.46) RENL3MBTL1HPGDLMNAELANE

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