SCHEMBL8891977

SCHEMBL8891977

COC(=O)c1noc(C2CC2)c1C(=O)c1ccccc1Cc1ccccc1SC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
TSHR P16473 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
NFKB1 P19838 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
HIF1A Q16665 1/20 0.38
HPGD P15428 5/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37

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
SCHEMBL8892752 0.91 ALDH1A1 (0.38) MAPTALDH1A1TDP1TSHRNPSR1
SCHEMBL8890773 0.90 KMT2A (0.34) MAPTALDH1A1TDP1TSHRNPSR1
SCHEMBL8890036 0.85 ALDH1A1 (0.39) MAPTALDH1A1TDP1TSHRNPSR1
SCHEMBL8891900 0.84 TSHR (0.39) MAPTALDH1A1TDP1TSHRNPSR1
SCHEMBL8890952 0.82 ALDH1A1 (0.33) MAPTALDH1A1TSHRNPSR1HPGD
SCHEMBL8891083 0.82 HTT (0.40) MAPTALDH1A1TSHRNPSR1HPGD
SCHEMBL8891053 0.81 KMT2A (0.33) MAPTALDH1A1TDP1TSHRNPSR1
SCHEMBL8892822 0.81 HTT (0.34) MAPTALDH1A1TDP1TSHRNPSR1
SCHEMBL8891811 0.80 MAPT (0.38) MAPTALDH1A1TSHRNPSR1HPGD
SCHEMBL8890586 0.78 ALDH1A1 (0.37) MAPTALDH1A1TDP1TSHRNPSR1

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