SCHEMBL9532619

SCHEMBL9532619

NC(=O)c1c(-c2ccccc2)csc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.50
KMT2A Q03164 9/20 0.50
ALDH1A1 P00352 4/20 0.50
BCAT2 O15382 2/20 0.50
PRKCZ Q05513 2/20 0.50
HPGD P15428 2/20 0.50
LMNA P02545 2/20 0.50
BACE1 P56817 1/20 0.46
MAPT P10636 3/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
SLC12A2 P55011 1/20 0.40
SLC12A5 Q9H2X9 1/20 0.40
NLRP3 Q96P20 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL2368807 0.82 ALDH1A1 (0.67) MEN1KMT2AALDH1A1BCAT2PRKCZ
SCHEMBL5138276 0.73 LMNA (0.49) MEN1KMT2AALDH1A1BCAT2PRKCZ
SCHEMBL1799330 0.73 KMT2A (0.69) MEN1KMT2AALDH1A1BCAT2PRKCZ
SCHEMBL6842022 0.72 BCAT2 (0.63) MEN1KMT2AALDH1A1BCAT2HPGD
SCHEMBL2368666 0.71 RAB9A (0.55) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL28605859 0.71 BCAT2 (0.59) MEN1KMT2AALDH1A1BCAT2PRKCZ
SCHEMBL975812 0.70 BCAT2 (0.55) MEN1KMT2AALDH1A1BCAT2HPGD
SCHEMBL3453136 0.70 BCAT2 (0.50) MEN1KMT2AALDH1A1BCAT2HPGD
SCHEMBL8188234 0.70 KMT2A (0.65) MEN1KMT2AALDH1A1BCAT2PRKCZ
SCHEMBL3980970 0.70 ALDH1A1 (0.65) MEN1KMT2AALDH1A1BCAT2PRKCZ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0291853-B1 THIENON COMPOUNDS BASF Aktiengesellschaft (DE) 1993-07-28 EP disclosed
US-4908437-A Thien-2-one compounds with an alkylidene or imino group in the 5-position of the ring BASF AKTIENGESELLSCHAFT (DE) 1990-03-13 US disclosed
EP-0291853-A2 Thienon compounds BASF Aktiengesellschaft (DE) 1988-11-23 EP disclosed