SCHEMBL7777690

SCHEMBL7777690

NC(=O)c1cccn1-c1cc2ccccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.46
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.43
USP2 O75604 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 6/20 0.42
RAB9A P51151 4/20 0.42
TSHR P16473 3/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GALR3 O60755 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL29496924 0.70 FLT3 (0.74) FLT3ALDH1A1MAPTHPGDMEN1
SCHEMBL649402 0.70 FLT3 (0.74) FLT3ALDH1A1MAPTHPGDMEN1
SCHEMBL13506760 0.69 ATM (0.46) ALDH1A1MAPTHPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL27610018 0.69 FLT3 (0.71) FLT3ALDH1A1MAPTHPGDMEN1
Hydrochloric Acid SCHEMBL30722382 0.69 FLT3 (0.71) FLT3ALDH1A1MAPTHPGDMEN1
Hydrochloric Acid SCHEMBL5981164 0.69 FLT3 (0.71) FLT3ALDH1A1MAPTHPGDMEN1
SCHEMBL927134 0.68 MAOB (0.52) FLT3NPC1RAB9AKDM4EMAOB
SCHEMBL9464614 0.67 CYP2A6 (0.42) FLT3ALDH1A1MAPTHPGDMEN1
Urea SCHEMBL27701713 0.65 FLT3 (0.60) FLT3ALDH1A1MAPTHPGDMEN1
SCHEMBL1259018 0.65 FLT3 (0.55) FLT3ALDH1A1MAPTHPGDMEN1

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
JP-2001181279-A BENZOFURANYLPYRROLECARBOXAMIDE DERIVATIVE MITSUI CHEMICALS INC 2001-07-03 JP disclosed