SCHEMBL5297789

SCHEMBL5297789

CCCCC[n+]1ccn(-c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
GLA P06280 1/20 0.50
PKM P14618 1/20 0.50
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
APAF1 O14727 1/20 0.47
MITF O75030 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
ABCB11 O95342 1/20 0.46
ESR1 P03372 1/20 0.46
PGR P06401 1/20 0.46
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD1 P21728 1/20 0.46
TBXA2R P21731 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
SCHEMBL5815485 0.98 KDM4E (0.49) KDM4EGLAPKMKMT2AHTT
SCHEMBL5283301 0.98 KDM4E (0.49) KDM4EGLAPKMKMT2AHTT
SCHEMBL5297432 0.98 KDM4E (0.49) KDM4EGLAPKMKMT2AHTT
SCHEMBL5290628 0.98 KDM4E (0.49) KDM4EGLAPKMKMT2AHTT
SCHEMBL5816934 0.98 KDM4E (0.49) KDM4EGLAPKMKMT2AHTT
SCHEMBL5295539 0.98 KDM4E (0.49) KDM4EGLAPKMKMT2AHTT
SCHEMBL5287933 0.98 KDM4E (0.49) KDM4EGLAPKMKMT2AHTT
SCHEMBL5810521 0.98 KDM4E (0.49) KDM4EGLAPKMKMT2AHTT
SCHEMBL5301618 0.98 KDM4E (0.49) KDM4EGLAPKMKMT2AHTT
SCHEMBL5285277 0.98 KDM4E (0.49) KDM4EGLAPKMKMT2AHTT

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
WO-2020152206-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2020-07-30 WO disclosed
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed