SCHEMBL3655014

SCHEMBL3655014

CC(CNC(=O)O)Oc1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.58
MTNR1B P49286 9/20 0.58
LDHA P00338 1/20 0.50
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SLC6A4 P31645 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL3655009 1.00 MTNR1A (0.58) MTNR1AMTNR1BLDHAKDM4EALDH1A1
SCHEMBL18260742 0.84 MTNR1A (0.58) MTNR1AMTNR1BSMN1; SMN2TDP1SLC6A4
SCHEMBL11212797 0.82 MTNR1A (0.53) MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL13033017 0.81 MTNR1A (0.50) MTNR1AMTNR1BLDHASMN1; SMN2
SCHEMBL10958161 0.78 LDHA (0.55) MTNR1AMTNR1BLDHAKDM4EALDH1A1
SCHEMBL21991548 0.75 LDHA (0.47) MTNR1AMTNR1BLDHAKDM4EALDH1A1
SCHEMBL16611798 0.75 MTNR1A (0.48) MTNR1AMTNR1B
SCHEMBL2549352 0.75 CYP1A2 (0.46) ALDH1A1SMN1; SMN2LMNASLC6A4CYP2D6
SCHEMBL3579103 0.74 MTNR1A (0.57) MTNR1AMTNR1BSLC6A4PPARGPPARA
SCHEMBL3579104 0.74 MTNR1A (0.57) MTNR1AMTNR1BSLC6A4PPARGPPARA

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
EP-2217578-A1 [1,2,4]TRIAZOLO[1,5-A]PYRIDINE AND [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2010-08-18 EP disclosed
WO-2009047514-A1 [1,2,4]TRIAZOLO[1,5-A]PYRIDINE AND [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-04-16 WO disclosed