SCHEMBL4414236

SCHEMBL4414236

COc1ccc(C(C)(C)C)cc1C(=O)Nc1ccc(C)c(-c2cc(CNC(=O)c3ccncc3)on2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.43
KCNMA1 Q12791 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HTT P42858 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.40
FLT1 P17948 2/20 0.40
KDR P35968 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL4407836 0.93 NR1H4 (0.45) RXFP1HTTLMNAALDH1A1NR1H4
SCHEMBL4417707 0.92 CYP3A4 (0.43) NAMPTHTTL3MBTL1LMNAMAPK1
SCHEMBL5593328 0.91 RXFP1 (0.43) RXFP1HTTALDH1A1NR1H4PPARG
SCHEMBL5592971 0.90 RXFP1 (0.42) RXFP1HTTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL5604346 0.88 HTT (0.42) NAMPTHTTL3MBTL1LMNAMAPK1
SCHEMBL5592986 0.88 RXFP1 (0.41) RXFP1HTTLMNASMN1; SMN2ALDH1A1
SCHEMBL4551631 0.88 GRM4 (0.49) RXFP1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL5616375 0.87 MAPT (0.48) HTTLMNAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL4412543 0.83 ALDH1A1 (0.42) NAMPTKCNMA1RXFP1HTTLMNA
SCHEMBL4419761 0.82 CYP1A2 (0.49) NAMPTHTTL3MBTL1LMNAMAPK1

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 4 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-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed