SCHEMBL6206345

SCHEMBL6206345

C=CCNc1nnc(-c2ccc(F)c(F)c2Nc2ccc(I)cc2F)o1.COc1ccc(Nc2nnc(-c3ccc(F)c(F)c3Nc3ccc(I)cc3F)o2)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
CREBBP Q92793 1/20 0.39
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
ALOX15 P16050 1/20 0.36
MAP2K1 Q02750 6/20 0.35
MAP2K2 P36507 5/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL6400875 0.91 DUSP3 (0.45) DUSP3SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL6187211 0.88 MAP2K1 (0.44) TDP1MAP2K1MAP2K2ALOX12PIM1
SCHEMBL6400835 0.82 DUSP3 (0.37) DUSP3LMNAMAPTALDH1A1HPGD
SCHEMBL6207706 0.78 ALDH1A1 (0.38) DUSP3SMN1; SMN2TSHRALDH1A1HPGD
SCHEMBL6399775 0.78 MAP2K1 (0.46) ALDH1A1HSD17B10KDM4ETP53MAP2K1
SCHEMBL6406299 0.78 PIM1 (0.44) MAPTALDH1A1HPGDHSD17B10KDM4E
SCHEMBL6206538 0.77 ALOX12 (0.41) SMN1; SMN2TDP1MAP2K1MAP2K2NPC1
SCHEMBL6208038 0.77 PIM1 (0.45) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL6406565 0.77 PIM1 (0.39) SMN1; SMN2LMNAGAATSHRMAPT
SCHEMBL6399813 0.76 MAP2K1 (0.43) MAP2K1MAP2K2PIM1CAMK2B

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
EP-1578736-A1 MEK INHIBITING OXA- AND THIA-DIAZOL-2-YL-PHENYLAMINE DERIVATIVES Warner-Lambert Company LLC (US) 2005-09-28 EP claimed
WO-2004056789-A1 MEK INHIBITING OXA- AND THIA-DIAZOL-2-YL PHENYLAMINE DERIVATES WARNER-LAMBERT COMPANY LLC (US) 2004-07-08 WO claimed