SCHEMBL8139682

SCHEMBL8139682

Cc1cccn1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.44
PKM P14618 1/20 0.40
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
GAA P10253 1/20 0.40
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
TSHR P16473 1/20 0.38
ADRB1 P08588 1/20 0.38
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
ALOX12 P18054 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
SCHEMBL5272522 0.78 BIRC5 (0.46) NOTUMPKMALDH1A1L3MBTL1HTT
SCHEMBL8140296 0.77 NOTUM (0.47) NOTUMPKMALDH1A1GAAMAPT
SCHEMBL12270200 0.77 KDM4E (0.32) ALDH1A1L3MBTL1MAPT
SCHEMBL18885212 0.73 RECQL (0.46) NOTUMALDH1A1SMN1; SMN2HTTGAA
SCHEMBL28064969 0.71 PTGS2 (0.47) NOTUMALDH1A1
SCHEMBL7031169 0.71 MYC (0.59) NOTUMPKMALDH1A1L3MBTL1HTT
SCHEMBL8137135 0.71 KEAP1 (0.49) NOTUMALDH1A1L3MBTL1GAAMAPT
SCHEMBL10900906 0.70 ALDH1A1 (0.51) NOTUMALDH1A1SMN1; SMN2
SCHEMBL27951163 0.70 CYP3A4 (0.46) NOTUMALDH1A1L3MBTL1SMN1; SMN2HTT
SCHEMBL1127502 0.70 ATM (0.48) NOTUMPKMALDH1A1SMN1; SMN2GAA

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-1054887-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 EP disclosed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 WO disclosed