SCHEMBL6206074

SCHEMBL6206074

NCc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.42
ALDH1A1 P00352 7/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
HTR2C P28335 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TXNRD1 Q16881 1/20 0.39
MAPT P10636 2/20 0.38
ALPG P10696 1/20 0.38
PTPN1 P18031 1/20 0.37
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PRSS1 P07477 2/20 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
SCHEMBL6204652 0.85 TTR (0.50) ALDH1A1LMNAGAAHTTSMN1; SMN2
SCHEMBL5913357 0.85 HTT (0.42) ALDH1A1LMNAGAAHTTSMN1; SMN2
SCHEMBL5913083 0.81 SMN1; SMN2 (0.48) ALDH1A1LMNAGAAHTTSMN1; SMN2
SCHEMBL29839233 0.80 ALDH1A1 (0.53) ALDH1A1MAPTPTPN1
SCHEMBL1130254 0.80 ALDH1A1 (0.53) ALDH1A1MAPTPTPN1
SCHEMBL4977602 0.80 ALDH1A1 (0.60) ALDH1A1LMNAGAAHTTSMN1; SMN2
SCHEMBL5913800 0.79 TTR (0.45) ALDH1A1LMNAGAAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL11873461 0.78 ALDH1A1 (0.63) ALDH1A1LMNAGAAHTTSMN1; SMN2
SCHEMBL30062398 0.78 HSPB1 (0.56) ALDH1A1LMNAGAAHTTSMN1; SMN2
SCHEMBL397137 0.78 HSPB1 (0.56) ALDH1A1LMNAGAAHTTSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1738798-A Indole derivatives as somatostatin agonists or antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-22 CN disclosed
EP-1562898-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP disclosed
WO-2004046107-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-03 WO disclosed