SCHEMBL8892550

SCHEMBL8892550

CSc1ccc(C(=O)c2cnoc2C2CC2)c(Cc2ccc(Cl)cc2)c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTGDR2 Q9Y5Y4 4/20 0.33
FFAR4 Q5NUL3 1/20 0.32
RAB9A P51151 3/20 0.32
CASP3 P42574 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
P2RX7 Q99572 2/20 0.31
HTT P42858 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL8890688 0.90 LMNA (0.34) ALDH1A1HPGDPTGDR2SMN1; SMN2NPSR1
SCHEMBL8890676 0.90 ALDH1A1 (0.35) ALDH1A1HPGDPTGDR2RAB9ACASP3
SCHEMBL8892787 0.87 HPGD (0.36) ALDH1A1HPGDKDM4ECYP1A2CYP3A4
SCHEMBL8893301 0.84 TBXA2R (0.37) ALDH1A1HPGDKDM4ECYP1A2CYP3A4
SCHEMBL8891456 0.83 ALDH1A1 (0.35) ALDH1A1HPGDKDM4ECYP1A2CYP3A4
SCHEMBL9069970 0.82 DHODH (0.36) ALDH1A1HPGDRAB9ACASP3SMN1; SMN2
SCHEMBL9069997 0.81 RAB9A (0.36) ALDH1A1HPGDRAB9ACASP3SMN1; SMN2
SCHEMBL8492364 0.81 HPGD (0.37) ALDH1A1HPGDPTGDR2RAB9ACASP3
SCHEMBL8891638 0.80 ALOX15 (0.36) ALDH1A1HPGDKDM4EPTGDR2SMN1; SMN2
SCHEMBL8891882 0.80 HPGD (0.36) ALDH1A1HPGDPTGDR2RAB9ACASP3

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