SCHEMBL4565964

SCHEMBL4565964

COc1c(C#N)cc(C(C)(C)C)cc1C(=O)Nc1cnc(C)c(C(=O)Nc2ccc(OCc3ccncc3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
BRAF P15056 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
GPR55 Q9Y2T6 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
SCHEMBL4410752 0.93 NPC1 (0.46) MAPK14MAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL5489688 0.92 BRAF (0.39) MAPK14MAPTSMN1; SMN2ALDH1A1BRAF
SCHEMBL4410224 0.92 MAPK14 (0.43) MAPK14MAPTSMN1; SMN2ALDH1A1BRAF
SCHEMBL14534466 0.90 MAPK14 (0.45) MAPK14MAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL4413445 0.89 LMNA (0.44) MAPK14MAPTHTTBRAFRAB9A
SCHEMBL14534469 0.88 MAPK14 (0.43) MAPK14MAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL4409868 0.88 ALDH1A1 (0.47) MAPK14MAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL4417279 0.88 MAPT (0.41) MAPK14MAPTSMN1; SMN2BRAFRAB9A
SCHEMBL4420870 0.87 MRGPRX4 (0.43) MAPTSMN1; SMN2ALDH1A1HTTBRAF
SCHEMBL4411102 0.85 MAPK14 (0.42) MAPK14NPC1KDM4E

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 3 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
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed