SCHEMBL6818908

SCHEMBL6818908

O=C(O)c1ccc(COc2cccc(Nc3ccccc3)c2)o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.64
RAB9A P51151 7/20 0.64
HSP90AA1 P07900 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
POLB P06746 4/20 0.56
TDP1 Q9NUW8 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CTSV O60911 1/20 0.54
CTSL P07711 1/20 0.54
MAPT P10636 1/20 0.54
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KDM4E B2RXH2 1/20 0.51
SENP8 Q96LD8 1/20 0.51

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
SCHEMBL6815160 0.88 POLB (0.68) NPC1RAB9AHSP90AA1SMN1; SMN2POLB
SCHEMBL6815339 0.83 POLB (0.77) NPC1RAB9AHSP90AA1SMN1; SMN2POLB
SCHEMBL3562732 0.83 NPC1 (0.69) NPC1RAB9AHSP90AA1SMN1; SMN2POLB
SCHEMBL19984727 0.82 NPC1 (0.67) NPC1RAB9AHSP90AA1SMN1; SMN2POLB
SCHEMBL6815128 0.78 NPC1 (0.67) NPC1RAB9AHSP90AA1SMN1; SMN2POLB
SCHEMBL15330790 0.78 MAOB (0.64) NPC1RAB9AHSP90AA1SMN1; SMN2POLB
SCHEMBL29956346 0.78 NPC1 (0.62) NPC1RAB9AHSP90AA1SMN1; SMN2POLB
SCHEMBL29956938 0.78 MAOB (0.64) NPC1RAB9AHSP90AA1SMN1; SMN2POLB
SCHEMBL19984689 0.77 CHRM3 (0.64) NPC1RAB9AHSP90AA1SMN1; SMN2POLB
SCHEMBL6814497 0.76 POLB (0.75) NPC1RAB9AHSP90AA1SMN1; SMN2POLB

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-2004012656-A2 THIOPHENE AND FURAN DERIVATIVES AS PROSTAGLANDIN AGONISTS AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-02-12 WO claimed
WO-2004012656-A2 THIOPHENE AND FURAN DERIVATIVES AS PROSTAGLANDIN AGONISTS AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-02-12 WO disclosed