SCHEMBL2637295

SCHEMBL2637295

O=C(O)c1ccccc1Nc1ccc(Cl)cc1/N=C/c1cncc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ FABP4 P15090 5/20 0.40
▸ FABP3 P05413 3/20 0.40
▸ FTO Q9C0B1 5/20 0.40
▸ GRIK1 P39086 1/20 0.39
▸ TAS2R14 Q9NYV8 2/20 0.38
▸ PBRM1 Q86U86 1/20 0.38
▸ TTR P02766 2/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ MT-CO2 P00403 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PLA2G1B P04054 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL2637296 1.00 ALDH1A1 (0.46) ALDH1A1FABP4FABP3FTOGRIK1
SCHEMBL2635941 0.86 KMT2A (0.48) ALDH1A1FABP4FABP3FTOGRIK1
SCHEMBL2635938 0.86 KMT2A (0.48) ALDH1A1FABP4FABP3FTOGRIK1
SCHEMBL2635880 0.84 FTO (0.49) FABP4FABP3FTOGRIK1PBRM1
SCHEMBL2635879 0.84 FTO (0.49) FABP4FABP3FTOGRIK1PBRM1
SCHEMBL2636836 0.82 FABP4 (0.42) ALDH1A1FABP4FABP3FTOPBRM1
SCHEMBL2636834 0.82 FABP4 (0.42) ALDH1A1FABP4FABP3FTOPBRM1
SCHEMBL2640977 0.80 ALDH1A1 (0.46) ALDH1A1FABP4FABP3FTOGRIK1
SCHEMBL2640980 0.80 ALDH1A1 (0.46) ALDH1A1FABP4FABP3FTOGRIK1
SCHEMBL2635759 0.79 FABP4 (0.43) FABP4FABP3FTOGRIK1TAS2R14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011140599-A1 CHEMICAL COMPOUND ARRAYS USEFUL FOR DETECTING BACTERIAL PEPTIDES MONASH UNIVERSITY (AU) 2011-11-17 — — WO claimed
WO-2011140599-A1 CHEMICAL COMPOUND ARRAYS USEFUL FOR DETECTING BACTERIAL PEPTIDES MONASH UNIVERSITY (AU) 2011-11-17 — — WO disclosed
Send feedback