SCHEMBL14824924

SCHEMBL14824924

C=CCc1cccc(I)c1I

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.48
GABRB2 P47870 2/20 0.48
AKR1B1 P15121 1/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.36
TAAR1 Q96RJ0 1/20 0.34
GAA P10253 3/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
IDO1 P14902 2/20 0.33
KDM4E B2RXH2 2/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32

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
SCHEMBL7526525 0.83 GABRA1 (0.48) GABRA1GABRB2AKR1B1MEN1KMT2A
SCHEMBL249728 0.82 GABRA1 (0.47) GABRA1GABRB2AKR1B1MEN1KMT2A
SCHEMBL9280279 0.79 GABRA1 (0.66) GABRA1GABRB2AKR1B1MEN1KMT2A
SCHEMBL28879921 0.78 TAAR1 (0.34) TAAR1IDO1
SCHEMBL6335063 0.75 GABRA1 (0.50) GABRA1GABRB2AKR1B1TAAR1GAA
SCHEMBL839768 0.75 TAAR1 (0.38) TAAR1IDO1
SCHEMBL5824091 0.74 GABRA1 (0.58) GABRA1GABRB2AKR1B1MEN1KMT2A
SCHEMBL29763626 0.73 GABRA1 (0.56) GABRA1GABRB2AKR1B1MEN1KMT2A
SCHEMBL173300 0.73 GABRA1 (0.56) GABRA1GABRB2AKR1B1MEN1KMT2A
SCHEMBL283558 0.72 TAAR1 (0.39) TAAR1IDO1

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
EP-2258366-B1 Quinoline derivatives capable of inhibiting autophosphorylation of hepatocyte growth factor receptors, and pharmaceutical composition comprising the same KIRIN PHARMA KK (JP) 2013-04-03 EP disclosed