SCHEMBL4377044

SCHEMBL4377044

O=C(c1ccc(Cl)cc1)c1ccc2c(c1)C(c1cccc(Cl)c1)SCc1nnnn1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
RECQL P46063 1/20 0.36
KCNJ1 P48048 1/20 0.35
RIPK1 Q13546 1/20 0.34
HTR7 P34969 1/20 0.33
FFAR2 O15552 1/20 0.33
HSD11B1 P28845 1/20 0.32
MDM2 Q00987 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.32
ACHE P22303 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
PDE5A O76074 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
SCHEMBL4372579 0.74 FNTA (0.49) FNTAFNTBMDM2
SCHEMBL4374148 0.73 FNTA (0.63) FNTAFNTB
SCHEMBL4371172 0.73 TP53 (0.55) FNTAFNTBRECQLMDM2LMNA
SCHEMBL4372062 0.70 OPRK1 (0.42) FNTAFNTBRECQLKCNJ1LMNA
SCHEMBL13501490 0.70 ALDH1A1 (0.35) FNTAFNTBRIPK1ALDH1A1KMT2A
SCHEMBL1538326 0.65 MDM2 (0.40) FNTAFNTBMDM2LMNAHTT
SCHEMBL6585222 0.65 CYP1A2 (0.42) LMNAALDH1A1NPC1KMT2A
SCHEMBL5557771 0.64 MDM2 (0.38) FNTAFNTBMDM2ALDH1A1KMT2A
SCHEMBL4376572 0.64 MDM2 (0.39) FNTAFNTBMDM2HTTL3MBTL1
SCHEMBL11448227 0.64 EPAS1 (0.44) L3MBTL1ALDH1A1

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-1339709-B1 FARNESYL TRANSFERASE INHIBITING BENZOHETEROCYCLIC DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2009-06-24 EP disclosed
US-7153958-B2 Farnesyl transferase inhibiting benzoheterocyclic derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-26 US disclosed