SCHEMBL6207039

SCHEMBL6207039

CCc1ccc(Nc2c(-c3nnc(NCc4cc(C)on4)o3)ccc(F)c2F)c(F)c1.CCc1ccc(Nc2c(-c3nnc(NCc4csc(-c5cccs5)n4)o3)ccc(F)c2F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 5/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 4/20 0.33
KLKB1 P03952 1/20 0.32
KLK1 P06870 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.31
NPY1R P25929 1/20 0.31
NPY2R P49146 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL6399733 0.96 KDM4E (0.42) KDM4EMAPTALDH1A1RAB9ALMNA
SCHEMBL6399213 0.89 LMNA (0.34) LMNA
SCHEMBL6206308 0.82 TRPC5 (0.37) KDM4EMAPTSMN1; SMN2TSHR
SCHEMBL6396876 0.78 FLT3 (0.37) MAPTRAB9A
SCHEMBL6209514 0.78 TRPC5 (0.38) LMNASMN1; SMN2TSHR
SCHEMBL6206929 0.77 CDC7 (0.45)
SCHEMBL6399621 0.77 KDR (0.46)
SCHEMBL6207571 0.76 TRPC5 (0.40) RAB9ANPC1SMN1; SMN2
SCHEMBL6398977 0.75 KDR (0.34)
SCHEMBL6208644 0.74 CDC7 (0.46) KDM4EMAPTALDH1A1POLB

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