SCHEMBL3261283

SCHEMBL3261283

CCO/C(=C\c1ccc2[nH]c(Cc3ccccc3)cc2c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.46
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HRH3 Q9Y5N1 1/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
HSD17B10 Q99714 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRB2 P47870 1/20 0.38
NPC1 O15118 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL3261286 1.00 F2 (0.46) F2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3261637 0.91 ALDH1A1 (0.38) F2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3261635 0.91 ALDH1A1 (0.38) F2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3262208 0.87 F2 (0.46) F2ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL3262209 0.87 F2 (0.46) F2ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL3261290 0.83 F2 (0.48) F2
SCHEMBL3260257 0.79 F2 (0.39) F2SMN1; SMN2RAB9ANPC1GAA
SCHEMBL3260256 0.79 F2 (0.39) F2SMN1; SMN2RAB9ANPC1GAA
SCHEMBL3261109 0.75 AURKA (0.50) ALDH1A1MAPT
SCHEMBL3261111 0.75 AURKA (0.50) ALDH1A1MAPT

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
WO-2010011147-A1 INDOLE COMPOUNDS THIA MEDICA AS (NO) 2010-01-28 WO disclosed