SCHEMBL8097872

SCHEMBL8097872

Cc1ccc(N2CSC(O)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
F2 P00734 1/20 0.38
ELANE P08246 1/20 0.38
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
CTRC Q99895 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL8097620 0.83 HSD17B10 (0.39) TP53TSHRALDH1A1HPGDALOX12
SCHEMBL8097433 0.82 MEN1 (0.44) TSHRGAAALDH1A1HPGDSMN1; SMN2
SCHEMBL8090371 0.82 POLB (0.44) ALDH1A1SMN1; SMN2RAB9ANPC1PKM
SCHEMBL8099525 0.79 TP53 (0.41) HTTTP53TSHRMAPK1GAA
SCHEMBL8089734 0.79 HDAC1 (0.41)
SCHEMBL8089747 0.76 SLC6A2 (0.45) CTSGCMA1RAB9ANPC1KMT2A
SCHEMBL8090389 0.72 ALDH1A1 (0.43) TSHRGAAALDH1A1ALOX12SMN1; SMN2
SCHEMBL8089994 0.72 MGLL (0.45) TP53MAPK1KMT2APOLB
SCHEMBL8089969 0.72 NOTUM (0.38) SMN1; SMN2KMT2AMEN1L3MBTL1POLB
SCHEMBL8090534 0.72 KAT2B (0.48) HTTGAAALDH1A1HPGDALOX12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed