SCHEMBL4049889

SCHEMBL4049889

c1ccc(Cc2[nH]cc[n+]2Cc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
PNP P00491 2/20 0.36
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL3403215 0.91 KDM4E (0.43) TAAR1KDM4EALDH1A1SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL3399161 0.89 KDM4E (0.45) TAAR1KDM4EALDH1A1SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL28388643 0.82 KDM4E (0.37) TAAR1KDM4EALDH1A1SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL20191168 0.82 TP53 (0.43) KDM4EALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL5292833 0.81 EEF2K (0.38) KDM4EALDH1A1SMN1; SMN2HPGDHTT
Hydrochloric Acid SCHEMBL9238990 0.80 TAAR1 (0.38) CALM1TAAR1ALDH1A1SMN1; SMN2HPGD
SCHEMBL1704010 0.80 CA1 (0.35) KDM4EALDH1A1SMN1; SMN2HPGDHTT
Bromide SCHEMBL15819610 0.77 CCNA2 (0.37) CALM1TAAR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4408948 0.76 L3MBTL1 (0.41) KDM4EALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL5299591 0.76 KMT2A (0.43) KDM4EALDH1A1SMN1; SMN2HPGDHTT

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-2009108125-A1 GOLD NANOPARTICLES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-09-03 WO disclosed