SCHEMBL13397394

SCHEMBL13397394

C=CCNC(=O)c1ccc(I)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.65
LMNA P02545 2/20 0.65
ALDH1A1 P00352 2/20 0.65
SMN1; SMN2 Q16637 4/20 0.64
PKM P14618 2/20 0.63
RAB9A P51151 4/20 0.59
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
MAPT P10636 2/20 0.53
POLB P06746 1/20 0.47
CYP1A2 P05177 1/20 0.47
FOLH1 Q04609 1/20 0.47
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL2385213 0.90 HPGD (0.76) HPGDLMNAALDH1A1SMN1; SMN2PKM
SCHEMBL16092692 0.83 CYP1A2 (0.47) HPGDLMNAALDH1A1SMN1; SMN2PKM
SCHEMBL5884635 0.83 HPGD (0.67) HPGDLMNAALDH1A1SMN1; SMN2PKM
SCHEMBL24227389 0.81 RAB9A (0.69) HPGDLMNAALDH1A1SMN1; SMN2PKM
SCHEMBL28804019 0.81 SMN1; SMN2 (0.69) HPGDLMNAALDH1A1SMN1; SMN2PKM
SCHEMBL8557641 0.81 LMNA (0.65) HPGDLMNAALDH1A1SMN1; SMN2PKM
SCHEMBL17426921 0.81 HPGD (0.65) HPGDLMNAALDH1A1SMN1; SMN2PKM
SCHEMBL17426924 0.81 HPGD (0.65) HPGDLMNAALDH1A1SMN1; SMN2PKM
SCHEMBL9068167 0.81 PKM (0.68) HPGDLMNAALDH1A1SMN1; SMN2PKM
SCHEMBL7105506 0.81 HPGD (0.65) HPGDLMNAALDH1A1SMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390340-B1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2017-03-01 EP disclosed
WO-2010048144-A2 IMAGING AND RADIOTHERAPY METHODS GE HEALTHCARE LIMITED (GB) 2010-04-29 WO disclosed