SCHEMBL2921137

SCHEMBL2921137

Nc1ccc2nc(CCl)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.57
KDM4E B2RXH2 4/20 0.53
LMNA P02545 2/20 0.53
POLB P06746 1/20 0.53
CASP6 P55212 1/20 0.53
HTT P42858 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
F2 P00734 1/20 0.47
CHRM2 P08172 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
MAOA P21397 1/20 0.47
DRD1 P21728 1/20 0.47
ACHE P22303 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
OPRM1 P35372 1/20 0.47

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
Hydrochloric Acid SCHEMBL2925378 0.98 PLAU (0.55) PLAUKDM4ELMNAPOLBCASP6
SCHEMBL18735853 0.82 PLAU (0.59) PLAUKDM4ELMNAPOLBCASP6
SCHEMBL7454652 0.81 KDM4E (0.58) PLAUKDM4ELMNAPOLBCASP6
SCHEMBL11593729 0.81 PLAU (0.57) PLAUKDM4ELMNAPOLBCASP6
SCHEMBL2412433 0.78 HDAC1 (0.47) KMT2AHRH3HTR3ABACE1DYRK1A
SCHEMBL23759740 0.78 KDM4E (0.55) PLAUKDM4ELMNAPOLBCASP6
SCHEMBL1724199 0.77 CYP1A2 (0.57) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL1599323 0.77 BACE1 (0.53) KDM4ELMNAHTTMEN1KMT2A
SCHEMBL1420330 0.77 BACE1 (0.53) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL5765471 0.77 KDM4E (0.53) PLAUKDM4ELMNAPOLBCASP6

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-1285651-B1 MELANIN CONCENTRATING HORMONE ANTAGONISTS TAKEDA PHARMACEUTICAL (JP) 2010-09-01 EP disclosed
EP-1285651-B1 MELANIN CONCENTRATING HORMONE ANTAGONISTS TAKEDA PHARMACEUTICAL (JP) 2010-09-01 EP disclosed