SCHEMBL17400779

SCHEMBL17400779

O=C(c1ccc(I)cc1F)N1CCN2CCCC2C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 4/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MTOR P42345 6/20 0.46
PIK3CA P42336 5/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL17400776 0.96 MEN1 (0.48) CACNA1HMEN1KMT2AMTORPIK3CA
SCHEMBL7875944 0.85 TP53 (0.53) CACNA1HMEN1KMT2AMTORPIK3CA
SCHEMBL17400807 0.78 CPS1 (0.54) MTORPIK3CA
SCHEMBL17400787 0.77 MAP2K2 (0.60) MEN1KMT2AKDM4ETSHRLMNA
SCHEMBL21516880 0.75 MAP2K1 (0.50) MEN1KMT2AKDM4E
SCHEMBL20460502 0.74 HPGD (0.58) MEN1KMT2AKDM4EALDH1A1
SCHEMBL15651904 0.74 ALDH1A1 (0.48) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL17400772 0.73 CPS1 (0.56) KDM4ETSHRLMNA
SCHEMBL399815 0.73 CACNA1H (0.54) CACNA1HMEN1KMT2AKDM4EALDH1A1
SCHEMBL399814 0.73 CACNA1H (0.54) CACNA1HMEN1KMT2AKDM4EALDH1A1

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-2421846-B1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2016-01-06 EP disclosed