SCHEMBL29601928

SCHEMBL29601928

CCCCC[n+]1csc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.51
ALDH1A1 P00352 10/20 0.51
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
MAPT P10636 6/20 0.51
HPGD P15428 6/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
NPC1 O15118 6/20 0.49
HTT P42858 5/20 0.49
RAB9A P51151 5/20 0.49
LMNA P02545 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
MAPK1 P28482 2/20 0.49
RAD52 P43351 2/20 0.49
RGS12 O14924 1/20 0.49
USP2 O75604 1/20 0.49
HSP90AA1 P07900 1/20 0.49
THRB P10828 1/20 0.49
MCL1 Q07820 1/20 0.49
ALOX12 P18054 1/20 0.46

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
SCHEMBL29601800 0.98 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL29601334 0.98 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL29602006 0.98 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL9155741 0.98 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2AMAPT
Iodide SCHEMBL22320990 0.98 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL29602007 0.98 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL9722985 0.98 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL29601298 0.98 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL29601881 0.98 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL9037701 0.98 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2AMAPT

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
US-11359975-B2 Using ionic liquids in a programmable sensor INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2022-06-14 US disclosed