SCHEMBL4551200

SCHEMBL4551200

Cc1ccc(Nc2cccc(F)c2)cc1-c1cc(C(=O)NCC(C)(C)C)on1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSGALNACT1 Q8TDX6 4/20 0.44
MAPT P10636 4/20 0.40
TP53 P04637 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
HPGD P15428 2/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL4551203 0.88 CYP1A2 (0.45) MAPTTP53NPC1RAB9APOLB
SCHEMBL4551600 0.81 RAF1 (0.39) CSGALNACT1NPC1RAB9ARAF1BRAF
SCHEMBL4551892 0.80 RAF1 (0.44) RAF1BRAF
SCHEMBL5604333 0.80 RAF1 (0.38) CSGALNACT1NPC1RAB9ARAF1BRAF
SCHEMBL4417419 0.80 GLA (0.48) KMT2ARAF1BRAFHTT
SCHEMBL4407858 0.79 RAF1 (0.55) RAF1BRAF
SCHEMBL4408307 0.79 RAF1 (0.42) RAF1BRAFHTT
SCHEMBL4565727 0.79 NR1H4 (0.48) RAF1BRAF
SCHEMBL4565699 0.79 BRAF (0.45) MAPTTP53NPC1RAB9AMEN1
SCHEMBL4565940 0.78 FFAR1 (0.46) NPC1MEN1KMT2AALDH1A1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed