SCHEMBL8577305

SCHEMBL8577305

CC1(C)CN(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
NSD2 O96028 1/20 0.57
AR P10275 1/20 0.56
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
OPRM1 P35372 1/20 0.48
OPRL1 P41146 1/20 0.48
CYP11B2 P19099 1/20 0.46
DHFR P00374 1/20 0.46
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
GAA P10253 1/20 0.45
DRD2 P14416 1/20 0.45

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
SCHEMBL5461137 0.78 ALDH1A1 (0.46) ALDH1A1ARRAB9ASMN1; SMN2MEN1
SCHEMBL16166578 0.77 TSHR (0.43) ALDH1A1ARRAB9ASMN1; SMN2MEN1
SCHEMBL8090366 0.76 AR (0.50) ALDH1A1ARRAB9ASMN1; SMN2MEN1
SCHEMBL9797233 0.75 AR (0.49) ALDH1A1ARRAB9ASMN1; SMN2MEN1
SCHEMBL5492768 0.75 ALDH1A1 (0.50) ALDH1A1NSD2RAB9ASMN1; SMN2OPRM1
SCHEMBL29872795 0.74 MEN1 (0.61) ALDH1A1ARRAB9ASMN1; SMN2MEN1
SCHEMBL15766291 0.74 OPRM1 (0.52) ALDH1A1ARMEN1KMT2AOPRM1
SCHEMBL432973 0.73 ALOX5 (0.55) ALDH1A1MEN1KMT2ACYP11B2MAPT
SCHEMBL3936113 0.73 NSD2 (0.74) ALDH1A1NSD2RAB9ASMN1; SMN2GAA
SCHEMBL11281751 0.73 DRD2 (0.52) ALDH1A1ARRAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5789419-A CARDIOVASCULAR AND BRONCHIAL DISORDERS SS PHARMACEUTICAL CO., LTD. (JP) 1998-08-04 US disclosed
EP-0764639-A1 4-QUINOLINONE DERIVATIVE OR SALT THEREOF SS PHARMACEUTICAL CO., LTD. (JP) 1997-03-26 EP disclosed