SCHEMBL5299591

SCHEMBL5299591

CCCCCCCCCCCCC[n+]1cc[nH]c1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.43
HTT P42858 6/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
MEN1 O00255 6/20 0.43
KDM4E B2RXH2 4/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 3/20 0.43
RAD52 P43351 3/20 0.43
HSP90AA1 P07900 2/20 0.43
RGS12 O14924 1/20 0.43
USP2 O75604 1/20 0.43
THRB P10828 1/20 0.43
MCL1 Q07820 1/20 0.43
ALDH1A1 P00352 3/20 0.39
GAA P10253 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39

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
SCHEMBL16666186 1.00 KMT2A (0.43) KMT2AHTTSMN1; SMN2MEN1KDM4E
Bromide SCHEMBL17937503 0.99 SMN1; SMN2 (0.42) KMT2AHTTSMN1; SMN2MEN1KDM4E
Bromide SCHEMBL15798069 0.99 SMN1; SMN2 (0.42) KMT2AHTTSMN1; SMN2MEN1KDM4E
Bromide SCHEMBL15819610 0.93 CCNA2 (0.37) KMT2AHTTSMN1; SMN2MEN1KDM4E
SCHEMBL5291573 0.86 KCNH2 (0.42) KMT2AHTTSMN1; SMN2MEN1KDM4E
SCHEMBL5299486 0.86 KCNH2 (0.42) KMT2AHTTSMN1; SMN2MEN1KDM4E
Hydrochloric Acid SCHEMBL10969524 0.85 KCNH2 (0.44) KMT2AHTTSMN1; SMN2MEN1KDM4E
Hydrochloric Acid SCHEMBL3627797 0.82 TLR7 (0.32) KMT2AHTTSMN1; SMN2MEN1KDM4E
SCHEMBL902005 0.79 KMT2A (0.41) KMT2AHTTSMN1; SMN2MEN1KDM4E
SCHEMBL4230747 0.79 KMT2A (0.41) KMT2AHTTSMN1; SMN2MEN1KDM4E

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
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed