SCHEMBL6920072

SCHEMBL6920072

Cn1nccc1C(O)c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IDO1 P14902 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CFTR P13569 1/20 0.36
PRKDC P78527 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP19A1 P11511 5/20 0.34
HMOX1 P09601 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP1A2 P05177 1/20 0.33
CXCR3 P49682 1/20 0.33

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
SCHEMBL4908140 0.84 CYP3A4 (0.42) LMNASMN1; SMN2IDO1KDM4EPRKDC
SCHEMBL17847834 0.84 CYP17A1 (0.44) LMNASMN1; SMN2KDM4EPRKDCKCNH2
SCHEMBL2788882 0.84 KDM4E (0.50) LMNASMN1; SMN2KDM4ECYP19A1
SCHEMBL7590836 0.84 KDM4E (0.50) LMNASMN1; SMN2KDM4ECYP19A1
SCHEMBL7589137 0.84 KDM4E (0.50) LMNASMN1; SMN2KDM4ECYP19A1
SCHEMBL31040269 0.83 SMN1; SMN2 (0.41) LMNASMN1; SMN2KDM4EPRKDCKCNH2
SCHEMBL4899497 0.83 HTT (0.45) LMNASMN1; SMN2PRKDCKCNH2CYP1A2
SCHEMBL17865259 0.82 CYP3A4 (0.42) LMNASMN1; SMN2KDM4EPRKDCKCNH2
SCHEMBL4910223 0.80 ALDH1A1 (0.50) MAPK1IDO1CYP19A1CYP1A2
SCHEMBL5617833 0.76 L3MBTL1 (0.58) LMNASMN1; SMN2KDM4ECYP19A1CYP1A2

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
WO-2004046141-A1 NEW TRICYCLIC ANGIOTENSIN II AGONISTS VICORE PHARMA AB (SE) 2004-06-03 WO disclosed