SCHEMBL8097433

SCHEMBL8097433

O=C1C(O)SCN1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ABCB11 O95342 1/20 0.39
LMNA P02545 1/20 0.39
PTGS1 P23219 1/20 0.39
DDB1 Q16531 3/20 0.37
CRBN Q96SW2 3/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
FPR1 P21462 1/20 0.37
EP300 Q09472 1/20 0.36

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
SCHEMBL8098686 0.83 THRB (0.46) NPC1MAPTPTGS1TSHR
SCHEMBL8097620 0.82 HSD17B10 (0.39) NPC1RAB9AALDH1A1POLBHPGD
SCHEMBL8097872 0.82 HTT (0.42) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL8090389 0.82 ALDH1A1 (0.43) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL8099488 0.80 MAOA (0.47) KMT2ARAB9AALDH1A1MAPTGAA
SCHEMBL8097531 0.80 FAAH (0.42) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL8096854 0.80 ATM (0.48) MEN1KMT2AALDH1A1ATMGSK3A
SCHEMBL8788582 0.80 L3MBTL1 (0.46) ALDH1A1MAPTGAAEP300KAT2B
SCHEMBL8103211 0.80 FADS1 (0.44) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL8089734 0.78 HDAC1 (0.41) FPR1GSK3AGSK3B

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 6 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
CN-1039492-C Herbicides ZENECA LTD (GB) 1998-08-12 CN disclosed
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
CN-1095066-A Weedicide ZENECA LTD (GB) 1994-11-16 CN disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed