SCHEMBL20110595

SCHEMBL20110595

CN(C)CCN(C)Cc1ccc(-c2ncc(-c3ccc(N(C)C)cc3)o2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
RAB9A P51151 5/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 4/20 0.41
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TP53 P04637 2/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
STAT1 P42224 1/20 0.41
MITF O75030 1/20 0.39
APP P05067 1/20 0.37
HTR6 P50406 1/20 0.35
MAPT P10636 2/20 0.35
NOTUM Q6P988 1/20 0.35

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
SCHEMBL13662152 0.81 TSHR (0.50) ALOX15TSHRCASP1RAB9AKMT2A
SCHEMBL6014540 0.77 CA1 (0.44) ALOX15TSHRCASP1RAB9AKMT2A
SCHEMBL4879301 0.77 ALOX15 (0.74) ALOX15TSHRCASP1RAB9AKMT2A
SCHEMBL14140425 0.77 ALOX15 (0.54) ALOX15TSHRCASP1RAB9AKMT2A
SCHEMBL13600370 0.77 RAB9A (0.67) ALOX15TSHRCASP1RAB9AKMT2A
SCHEMBL1809702 0.77 ALOX15 (0.74) ALOX15TSHRCASP1RAB9AKMT2A
SCHEMBL12573258 0.76 APP (0.64) ALOX15TSHRCASP1RAB9AKMT2A
SCHEMBL12573259 0.76 HSD17B1 (0.57) ALOX15TSHRCASP1RAB9AKMT2A
SCHEMBL620114 0.74 ALOX15 (0.51) ALOX15TSHRCASP1RAB9AKMT2A
SCHEMBL13657992 0.73 PTPN1 (0.53) ALOX15TSHRCASP1RAB9AKMT2A

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
US-20180120325-A1 Sequence Specific Fluorescence for Peptide-Fluorochrome Interactions MedChem Imaging (US) 2018-05-03 US disclosed