SCHEMBL4783718

SCHEMBL4783718

COc1c(Nc2cnc(C)c(-n3cc(C(=O)NCC(C)(C)C)nn3)c2)cc(C(C)(C)C)cc1-n1ccnc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CD38 P28907 1/20 0.31
DDT P30046 1/20 0.30
CYP3A4 P08684 1/20 0.30
NR1I2 O75469 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
SCHEMBL4783723 0.90 LMNA (0.35) LMNAALDH1A1MAPTHTTNPSR1
SCHEMBL4780940 0.84 DRD2 (0.34) DDTNR1I2
SCHEMBL1378336 0.82 LMNA (0.45) LMNACYP3A4
SCHEMBL4779766 0.81 NR1I2 (0.41) HTTNR1I2
SCHEMBL4778554 0.80 DDT (0.42) DDTNR1I2
SCHEMBL4799754 0.78 MAPK14 (0.37) DDTNR1I2
SCHEMBL4778561 0.76 DDT (0.45) ALDH1A1DDTNR1I2
SCHEMBL4783352 0.76 MAPK14 (0.36) ALDH1A1NR1I2
SCHEMBL4780945 0.75 DDT (0.33) LMNAALDH1A1MAPTHTTNPSR1
SCHEMBL4781720 0.75 MAPK14 (0.43) LMNAALDH1A1MAPTHTTNPSR1

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-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed