SCHEMBL4565711

SCHEMBL4565711

Cc1ncc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1C(=O)N(c1ccccc1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 2/20 0.41
MAPT P10636 4/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
SIRT2 Q8IXJ6 2/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
GCK P35557 2/20 0.39
BRAF P15056 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NR1H4 Q96RI1 1/20 0.38
EGLN2 Q96KS0 2/20 0.38
EGLN1 Q9GZT9 2/20 0.38
CYP19A1 P11511 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL5482540 0.89 RAB9A (0.48) TEKMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL4729472 0.84 RAB9A (0.44) TEKMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL4417839 0.82 MAPK14 (0.45) TEKMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL4410077 0.79 MAPK14 (0.43) TEKMAPTSMN1; SMN2BRAFNR1H4
SCHEMBL5483879 0.78 TEK (0.46) TEKBRAFNR1H4
SCHEMBL14534684 0.78 RAB9A (0.50) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL4414872 0.77 BRAF (0.49) TEKRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL4412446 0.77 KDR (0.41) TEKBRAFNR1H4
SCHEMBL4410752 0.74 NPC1 (0.46) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL4728324 0.72 EGFR (0.48) TEKMAPTRAB9ASMN1; SMN2ALDH1A1

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