SCHEMBL4288762

SCHEMBL4288762

CCOc1c(C)nc(C)nc1Cl

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
PDK2 Q15119 1/20 0.32
CRHR1 P34998 1/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL18570070 0.79 KDM4E (0.43) ALDH1A1POLBGAATSHRKMT2A
SCHEMBL27453949 0.75 DHFR (0.36) GAATSHRSMN1; SMN2
SCHEMBL28045734 0.75 KDM4E (0.32) ALDH1A1GAAKDM4EHPGD
SCHEMBL2148737 0.73 KDM4E (0.39) ALDH1A1POLBGAATSHRKMT2A
SCHEMBL26534292 0.72 L3MBTL1 (0.39) ALDH1A1POLBGAATSHRKMT2A
SCHEMBL27467896 0.72 MAPT (0.36) ALDH1A1GAACRHR1KMT2AKDM4E
SCHEMBL27284949 0.70 GAA (0.39) ALDH1A1GAAKMT2AKDM4ESMN1; SMN2
SCHEMBL4374888 0.68 CRHR1 (0.31) ALDH1A1CRHR1
SCHEMBL9731091 0.68 ABCB11 (0.37) ALDH1A1POLBGAATSHRPDK2
SCHEMBL27289019 0.68 CRHR1 (0.33) ALDH1A1CRHR1

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
WO-2009155448-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS LIGAND PHARMACEUTICALS INC. (US) 2009-12-23 WO disclosed
WO-2009155448-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS LIGAND PHARMACEUTICALS INC. (US) 2009-12-23 WO disclosed