SCHEMBL9217455

SCHEMBL9217455

Cc1ccc2oc(CNCc3ccco3)c(-c3ccc(Br)cc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
RAB9A P51151 3/20 0.47
USP2 O75604 2/20 0.47
NPC1 O15118 2/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
TSHR P16473 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
ATM Q13315 2/20 0.40
POLB P06746 2/20 0.38
HTT P42858 3/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 3/20 0.38
MAPK1 P28482 2/20 0.38
NOD2 Q9HC29 1/20 0.38
MAPT P10636 3/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL9214613 0.93 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2RAB9AUSP2NPC1
SCHEMBL9214687 0.89 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2RAB9AUSP2NPC1
Hydrochloric Acid SCHEMBL9217585 0.82 L3MBTL1 (0.48) ALDH1A1SMN1; SMN2NPC1L3MBTL1KDM4E
SCHEMBL9218007 0.79 L3MBTL1 (0.68) ALDH1A1SMN1; SMN2RAB9AUSP2NPC1
SCHEMBL9431510 0.79 L3MBTL1 (0.41) ALDH1A1GAAL3MBTL1KDM4EATM
Hydrochloric Acid SCHEMBL9215520 0.75 L3MBTL1 (0.52) ALDH1A1SMN1; SMN2NPC1L3MBTL1KDM4E
SCHEMBL9218757 0.74 TP53 (0.42) ALDH1A1SMN1; SMN2USP2GAAL3MBTL1
SCHEMBL9430442 0.73 L3MBTL1 (0.46) ALDH1A1SMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL9431286 0.72 L3MBTL1 (0.46) ALDH1A1SMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL9431302 0.72 L3MBTL1 (0.49) ALDH1A1SMN1; SMN2NPC1L3MBTL1KDM4E

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-0512570-B1 Urea derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1995-10-11 EP disclosed
EP-0512570-A1 Urea derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-11-11 EP disclosed