SCHEMBL9753003

SCHEMBL9753003

O=c1[nH]c(=O)n(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GRIA1 P42261 2/20 0.34
▸ GRIA2 P42262 2/20 0.34
▸ GRIA3 P42263 2/20 0.34
▸ GRIA4 P48058 2/20 0.34
▸ HCAR1 Q9BXC0 5/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ GLA P06280 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ DAO P14920 1/20 0.31
▸ TSHR P16473 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
SCHEMBL17040216 0.76 TDP1 (0.52) LMNAALOX12ADRA1ASMN1; SMN2GRIA1
SCHEMBL19841642 0.76 LMNA (0.40) LMNAALOX12ADRA1ASMN1; SMN2GRIA1
SCHEMBL19639709 0.76 MAPK1 (0.42) LMNAADRA1AHPGDALDH1A1
SCHEMBL27999773 0.76 LMNA (0.40) LMNAALOX12ADRA1ASMN1; SMN2GRIA1
SCHEMBL1484499 0.73 DRD2 (0.42) LMNAALOX12ADRA1ASMN1; SMN2KDM4E
SCHEMBL12827188 0.72 SMN1; SMN2 (0.37) LMNAALOX12ADRA1ASMN1; SMN2GRIA1
SCHEMBL22873334 0.69 TNKS (0.33) DAO
SCHEMBL23873408 0.69 LMNA (0.39) LMNAALOX12ADRA1ASMN1; SMN2GRIA1
SCHEMBL8768989 0.68 KMT2A (0.43) LMNAALOX12ADRA1ASMN1; SMN2GRIA1
SCHEMBL23873406 0.68 GRIA1 (0.42) LMNAALOX12ADRA1ASMN1; SMN2GRIA1

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-1991001326-A1 ANTIVIRAL PYRIMIDINE NUCLEOSIDES UNIVERSITY OF BIRMINGHAM (GB) 1991-02-07 — — WO disclosed
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