SCHEMBL4698606

SCHEMBL4698606

N=C(NN=Cc1ccccc1Br)Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.50
ALDH1A1 P00352 5/20 0.49
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
KMT2A Q03164 9/20 0.47
MEN1 O00255 7/20 0.47
LMNA P02545 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CHEK1 O14757 1/20 0.44
AURKA O14965 1/20 0.44
DAPK3 O43293 1/20 0.44
JAK2 O60674 1/20 0.44
PRKD3 O94806 1/20 0.44

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
SCHEMBL4698601 1.00 MAPT (0.50) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL4698577 0.87 MAPT (0.58) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL4698447 0.87 MAPT (0.58) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL17561003 0.85 MAPT (0.56) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL4698394 0.78 ALDH1A1 (0.53) MAPTALDH1A1RAB9ANPC1KMT2A
SCHEMBL7748700 0.78 MAPT (0.55) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL31105723 0.78 MAPT (0.55) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7748696 0.78 MAPT (0.55) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL7747576 0.76 MAPT (0.54) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL7747578 0.76 MAPT (0.54) MAPTALDH1A1RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309544-B1 COMPOUNDS ACTING AS MELANOCORTIN RECEPTOR LIGANDS ACURE PHARMA AB (SE) 2008-11-05 EP claimed
US-7153881-B2 Compounds acting as melanocortin receptor ligands ACURE PHARMA AB (SE) 2006-12-26 US claimed
EP-1309544-B1 COMPOUNDS ACTING AS MELANOCORTIN RECEPTOR LIGANDS ACURE PHARMA AB (SE) 2008-11-05 EP disclosed
US-7153881-B2 Compounds acting as melanocortin receptor ligands ACURE PHARMA AB (SE) 2006-12-26 US disclosed