SCHEMBL9682938

SCHEMBL9682938

O=C(c1cnc2ccccc2c1)c1ccc2[nH]c(=O)oc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.51
TOP2B Q02880 2/20 0.51
CHEK2 O96017 1/20 0.49
CREBBP Q92793 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MGAM O43451 1/20 0.48
PDE4D Q08499 1/20 0.46
SMYD3 Q9H7B4 1/20 0.43
ESR1 P03372 1/20 0.40
HPGDS O60760 1/20 0.40
OGT O15294 1/20 0.40
CFTR P13569 1/20 0.40
IL4I1 Q96RQ9 1/20 0.40
NOS1 P29475 1/20 0.40
ENPP2 Q13822 2/20 0.39
GRIA1 P42261 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
SYK P43405 1/20 0.38

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
SCHEMBL6647933 0.79 ALDH1A1 (0.60) CREBBPKDM4EALDH1A1SMYD3ESR1
SCHEMBL7371232 0.77 MGAM (0.76) TOP2ATOP2BCHEK2KDM4EALDH1A1
SCHEMBL9469729 0.76 TOP2A (0.51) TOP2ATOP2BCHEK2KDM4EALDH1A1
SCHEMBL9368243 0.76 ALDH1A1 (0.53) CREBBPKDM4EALDH1A1SMYD3ESR1
Bromide SCHEMBL7374451 0.76 MGAM (0.73) TOP2ATOP2BCHEK2KDM4EALDH1A1
SCHEMBL9684957 0.75 CNR2 (0.50) CREBBPKDM4EALDH1A1SMYD3ESR1
SCHEMBL17260664 0.72 KDM4E (0.62) CREBBPKDM4EALDH1A1SMYD3NOS1
SCHEMBL31629977 0.72 MGAM (0.78) TOP2ATOP2BCHEK2KDM4EALDH1A1
SCHEMBL28286128 0.72 MGAM (0.78) TOP2ATOP2BCHEK2KDM4EALDH1A1
SCHEMBL9684816 0.72 ALDH1A1 (0.55) CREBBPKDM4EALDH1A1SMYD3ESR1

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
US-5147883-A Antiischemic, stroke ADIR ET COMPAGNIE (FR) 1992-09-15 US disclosed