SCHEMBL3809218

SCHEMBL3809218

COc1cc(=O)n(C)c(Nc2ccc(Br)cc2F)c1NS(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 2/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HTR6 P50406 1/20 0.40
MAP2K1 Q02750 2/20 0.39
BRD4 O60885 1/20 0.38
BRD1 O95696 1/20 0.38
BRPF1 P55201 1/20 0.38
BRPF3 Q9ULD4 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
THRB P10828 1/20 0.38
EGFR P00533 1/20 0.38
RET P07949 1/20 0.38
KIF5B P33176 1/20 0.38

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
SCHEMBL3806191 0.92 MAP2K1 (0.48) ALOX15TSHRALDH1A1TP53MAPT
SCHEMBL13063574 0.88 MAP2K1 (0.52) ALOX15ALDH1A1KDM4ETP53LMNA
SCHEMBL3806373 0.87 ALOX15 (0.40) ALOX15TSHRALDH1A1LMNAHTR6
SCHEMBL3807030 0.86 ALOX15 (0.41) ALOX15TSHRALDH1A1LMNAMAPT
SCHEMBL13063605 0.84 ALOX15 (0.42) ALOX15TSHRALDH1A1LMNAMAPT
SCHEMBL13063541 0.84 ALOX15 (0.40) ALOX15TSHRMAP2K1BRD4BRD1
SCHEMBL3808578 0.83 ALOX15 (0.39) ALOX15TSHRALDH1A1LMNAMAPT
SCHEMBL13063826 0.82 EGFR (0.38) ALOX15TSHRMAP2K1EGFRRET
SCHEMBL3808395 0.81 ALOX15 (0.40) ALOX15TSHRMAP2K1BRD4BRD1
SCHEMBL3804582 0.81 MAP2K1 (0.42) ALOX15TSHRALDH1A1KDM4ETP53

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-2010145197-A1 NOVEL 6-ARYLAMINO PYRIDONE SULFONAMIDES AND 6-ARYLAMINO PYRAZINONE SULFONAMDIES AS MEK INHIBITORS CHEMIZON (BEIJING), LTD. (CN) 2010-12-23 WO disclosed
WO-2010145197-A1 NOVEL 6-ARYLAMINO PYRIDONE SULFONAMIDES AND 6-ARYLAMINO PYRAZINONE SULFONAMDIES AS MEK INHIBITORS CHEMIZON (BEIJING), LTD. (CN) 2010-12-23 WO disclosed