SCHEMBL9218014

SCHEMBL9218014

Cc1ccc2c(C(=O)NCc3ccco3)oc(-c3ccc(Br)cc3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
POLB P06746 5/20 0.50
TDP1 Q9NUW8 2/20 0.50
RAB9A P51151 5/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 3/20 0.48
TSHR P16473 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.47
MAPT P10636 2/20 0.47
USP2 O75604 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL9218548 0.94 TDP1 (0.57) L3MBTL1POLBTDP1RAB9ANPC1
SCHEMBL9212938 0.90 KDM4E (0.53) L3MBTL1POLBTDP1RAB9ANPC1
SCHEMBL9216044 0.90 SAE1 (0.54) L3MBTL1POLBTDP1RAB9ANPC1
SCHEMBL9219295 0.86 TDP1 (0.53) L3MBTL1POLBTDP1RAB9ANPC1
SCHEMBL9218788 0.84 ALDH1A1 (0.53) POLBSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL9218007 0.83 L3MBTL1 (0.68) L3MBTL1POLBTDP1RAB9ANPC1
SCHEMBL9217404 0.77 SMN1; SMN2 (0.60) L3MBTL1POLBSMN1; SMN2HTTALDH1A1
SCHEMBL9218540 0.76 L3MBTL1 (0.61) L3MBTL1POLBTDP1RAB9ANPC1
SCHEMBL9209330 0.75 ANO1 (0.43) POLBRAB9ANPC1SMN1; SMN2HTT
SCHEMBL9216807 0.74 ALDH1A1 (0.52) POLBTDP1RAB9ANPC1SMN1; SMN2

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