SCHEMBL11244281

SCHEMBL11244281

COC(=O)c1c(SCc2ccccc2)n[nH]c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
METAP2 P50579 1/20 0.48
LMNA P02545 2/20 0.48
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
PPARG P37231 2/20 0.45
TSHR P16473 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL10466256 0.86 PKM (0.53) PKML3MBTL1KDM4EMEN1KMT2A
SCHEMBL10465148 0.83 PKM (0.50) PKML3MBTL1KDM4EMEN1KMT2A
SCHEMBL2085698 0.76 SMN1; SMN2 (0.51) PKML3MBTL1KDM4EKMT2AALDH1A1
SCHEMBL4974703 0.76 PKM (0.56) PKML3MBTL1KDM4EMEN1KMT2A
SCHEMBL10777556 0.75 METAP2 (0.47) PKML3MBTL1MEN1KMT2AALDH1A1
SCHEMBL4974766 0.73 PKM (0.53) PKML3MBTL1KDM4EMEN1KMT2A
SCHEMBL10774953 0.73 METAP2 (0.45) PKML3MBTL1ALDH1A1TDP1SMN1; SMN2
SCHEMBL10527190 0.72 L3MBTL1 (0.46) PKML3MBTL1MEN1KMT2AALDH1A1
SCHEMBL28450966 0.72 L3MBTL1 (0.51) PKML3MBTL1MEN1KMT2AALDH1A1
SCHEMBL10984267 0.72 HSP90AA1 (0.62) MEN1KMT2AALDH1A1SMN1; SMN2LMNA

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
US-4316040-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1982-02-16 US disclosed
US-4298749-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1981-11-03 US disclosed
EP-0007990-B1 PYRAZOLE ETHER DERIVATIVES, PROCESS FOR THEIR PREPARATION AND HERBICIDES CONTAINING THEM BASF Aktiengesellschaft (DE) 1981-03-25 EP disclosed
EP-0007990-A1 Pyrazole ether derivatives, process for their preparation and herbicides containing them BASF Aktiengesellschaft (DE) 1980-02-20 EP disclosed