SCHEMBL4698394

SCHEMBL4698394

N=C(N/N=C/c1cccc2ccccc12)N/N=C/c1cccc2ccccc12.N=C(N/N=C/c1ccccc1Br)N/N=C/c1ccccc1Br

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
LMNA P02545 2/20 0.53
F2 P00734 1/20 0.53
GCGR P47871 1/20 0.52
MEN1 O00255 8/20 0.50
KMT2A Q03164 8/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
MAPT P10636 4/20 0.49
POLB P06746 3/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 2/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.45
KDM4E B2RXH2 1/20 0.45
PPARG P37231 1/20 0.45

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
SCHEMBL4697896 0.91 LMNA (0.61) ALDH1A1LMNAF2GCGRMEN1
SCHEMBL4697902 0.91 LMNA (0.61) ALDH1A1LMNAF2GCGRMEN1
SCHEMBL4698577 0.89 MAPT (0.58) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL4698447 0.89 MAPT (0.58) ALDH1A1LMNAMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL17561003 0.88 MAPT (0.56) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL4698396 0.81 GRIN2D (0.58) ALDH1A1LMNAF2GCGRMEN1
SCHEMBL4698601 0.78 MAPT (0.50) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL4698606 0.78 MAPT (0.50) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL10783548 0.77 LMNA (0.60) ALDH1A1LMNAF2GCGRMEN1
SCHEMBL7748696 0.76 MAPT (0.55) ALDH1A1LMNAMEN1KMT2ANPC1

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
EP-1309544-B1 COMPOUNDS ACTING AS MELANOCORTIN RECEPTOR LIGANDS ACURE PHARMA AB (SE) 2008-11-05 EP claimed