SCHEMBL3835920

SCHEMBL3835920

N#Cc1cc(C#N)cc(Oc2cc(CC(=O)Nc3ccc(C(=O)O)cc3)ccc2Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.45
KDM4E B2RXH2 1/20 0.43
LMNA P02545 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
MAPT P10636 2/20 0.40
EPHX2 P34913 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2639768 0.92 MAPT (0.47) RORCKDM4ELMNAMEN1KMT2A
SCHEMBL3837011 0.91 NR1H4 (0.49) RORCKDM4ELMNAMEN1KMT2A
SCHEMBL2638078 0.91 LMNA (0.51) RORCKDM4ELMNAMEN1KMT2A
SCHEMBL2639066 0.90 MEN1 (0.49) RORCKDM4ELMNAMEN1KMT2A
SCHEMBL2640022 0.90 RORC (0.46) RORCLMNAMEN1KMT2AALDH1A1
SCHEMBL3218393 0.88 RORC (0.43) RORCLMNAMEN1KMT2AALDH1A1
SCHEMBL3837731 0.88 POLB (0.41) RORCKDM4EMEN1KMT2AMRGPRX4
SCHEMBL3836027 0.88 RORC (0.43) RORCLMNAMEN1KMT2AALDH1A1
SCHEMBL2638287 0.87 RORC (0.44) RORCKDM4ELMNAMEN1KMT2A
SCHEMBL2639012 0.87 RORC (0.46) RORCLMNAMEN1KMT2AALDH1A1

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
EP-1742908-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP claimed