SCHEMBL8901242

SCHEMBL8901242

COc1ccc(C=O)cc1OCc1nc(-c2cccs2)no1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
TSHR P16473 2/20 0.60
RAB9A P51151 9/20 0.57
SMN1; SMN2 Q16637 9/20 0.57
NPC1 O15118 8/20 0.57
MAPT P10636 7/20 0.57
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
ALDH1A1 P00352 4/20 0.57
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
GAA P10253 1/20 0.52
TDP1 Q9NUW8 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
PKM P14618 3/20 0.52

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
SCHEMBL8900264 0.84 LMNA (0.60) LMNATSHRRAB9ASMN1; SMN2NPC1
SCHEMBL8902534 0.83 LMNA (0.59) LMNATSHRRAB9ASMN1; SMN2NPC1
SCHEMBL8899801 0.80 POLB (0.61) LMNATSHRRAB9ASMN1; SMN2NPC1
SCHEMBL8891089 0.80 MAPT (0.68) LMNATSHRSMN1; SMN2MAPTKMT2A
SCHEMBL8898815 0.79 TSHR (0.59) LMNATSHRRAB9ASMN1; SMN2NPC1
SCHEMBL8900644 0.75 PDE4D (0.56) LMNATSHRRAB9ASMN1; SMN2NPC1
SCHEMBL2705643 0.71 RAB9A (0.57) LMNATSHRRAB9ASMN1; SMN2NPC1
SCHEMBL12728834 0.71 RAB9A (0.63) LMNATSHRRAB9ASMN1; SMN2NPC1
SCHEMBL1300154 0.71 HPGD (0.66) LMNATSHRRAB9ASMN1; SMN2NPC1
SCHEMBL5937486 0.70 ERN1 (0.59) TSHRNPC1MAPTKMT2AMEN1

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-1997003967-A1 SUBSTITUTED AROMATIC COMPOUNDS AND THEIR PHARMACEUTICAL USE RHONE-POULENC RORER LIMITED (GB) 1997-02-06 WO disclosed