SCHEMBL4779770

SCHEMBL4779770

COc1ccc(C(C)(C)C)cc1C(=O)Nc1cnc(C)c(-n2cc(C(=O)NCC(C)(C)C)nn2)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.39
NR1I2 O75469 9/20 0.38
DDT P30046 1/20 0.38
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL13843780 0.89 NR1I2 (0.41) NR1H4NR1I2DDT
SCHEMBL4779766 0.89 NR1I2 (0.41) NR1I2TSHR
SCHEMBL4784135 0.84 CYP1A2 (0.48) NR1I2POLBTSHR
SCHEMBL4780945 0.83 DDT (0.33) NR1I2DDTLMNAPOLB
SCHEMBL4778561 0.83 DDT (0.45) NR1I2DDT
SCHEMBL4783723 0.82 LMNA (0.35) DDTLMNA
SCHEMBL4778554 0.81 DDT (0.42) NR1I2DDT
SCHEMBL4013585 0.80 BRAF (0.40) DDT
SCHEMBL4779210 0.77 TEK (0.41) NR1I2DDT
SCHEMBL4799766 0.77 DDT (0.32) NR1I2DDT

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