SCHEMBL8907895

SCHEMBL8907895

CSc1ccccc1Cc1cc(F)ccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.36
ALDH1A1 P00352 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
LMNA P02545 2/20 0.34
DDR1 Q08345 1/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
PDE4D Q08499 1/20 0.33
DHODH Q02127 2/20 0.32

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
SCHEMBL8890982 0.90 LMNA (0.34) HPGDALDH1A1CASP3RAB9ASMN1; SMN2
SCHEMBL8891465 0.90 HPGD (0.39) HPGDALDH1A1CASP3RAB9ASMN1; SMN2
SCHEMBL8889692 0.89 ALDH1A1 (0.37) HPGDALDH1A1CASP3RAB9ASMN1; SMN2
SCHEMBL8889689 0.89 HPGD (0.39) HPGDALDH1A1CASP3RAB9ASMN1; SMN2
SCHEMBL8891934 0.89 DHODH (0.41) HPGDALDH1A1CASP3RAB9ASMN1; SMN2
SCHEMBL8900763 0.88 HPGD (0.38) HPGDALDH1A1CASP3RAB9ASMN1; SMN2
SCHEMBL8892156 0.88 HPGD (0.36) HPGDALDH1A1CASP3RAB9ASMN1; SMN2
SCHEMBL8888828 0.87 KDM4E (0.35) ALDH1A1RAB9APTGDR2DHODHGAA
SCHEMBL8891568 0.85 HPGD (0.36) HPGDALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL8891088 0.85 HPGD (0.33) HPGDALDH1A1CASP3RAB9ASMN1; SMN2

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