SCHEMBL8894099

SCHEMBL8894099

CS(=O)(=O)c1ccc(C(=O)c2cnoc2C2CC2)c(Cc2ccccc2Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.40
GPR6 P46095 1/20 0.36
LMNA P02545 3/20 0.36
TP53 P04637 1/20 0.36
OPRM1 P35372 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RXRA P19793 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
NR1H4 Q96RI1 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMO Q99835 1/20 0.34
PLA2G1B P04054 1/20 0.33
PKM P14618 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33

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
SCHEMBL8889920 0.91 EPHX2 (0.36) PTGS2GPR6LMNAMEN1KMT2A
SCHEMBL8890712 0.90 KDM4E (0.34) PTGS2GPR6NPC1P2RX7
SCHEMBL8890658 0.89 PTGS2 (0.40) PTGS2MEN1KMT2ANR1H2NR1H3
SCHEMBL8890289 0.88 NR1H2 (0.38) RXRANR1H2NR1H3
SCHEMBL8892281 0.88 HCRTR2 (0.36) NR1H4
SCHEMBL8891685 0.87 PTGS2 (0.38) PTGS2MEN1KMT2APOLB
SCHEMBL8892121 0.86 TBXA2R (0.36) LMNANPC1PDE3BPDE3AALDH1A1
SCHEMBL8890580 0.85 HSP90AA1 (0.33) LMNANR1H4NPC1POLBPDE3B
SCHEMBL8495014 0.85 DHODH (0.34) PTGS2LMNAMEN1KMT2ANPC1
SCHEMBL8891568 0.85 HPGD (0.36) LMNAMEN1KMT2ANR1H4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997028136-A1 BENZOYLISOXAZOLES AND 2-CYANO-1,3-DIONE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-07 WO disclosed