SCHEMBL9429341

SCHEMBL9429341

CCOC(=O)c1noc(-c2ccccc2)c1C(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
HTT P42858 1/20 0.51
TP53 P04637 1/20 0.49
DHODH Q02127 1/20 0.48
TRPV1 Q8NER1 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
RORC P51449 1/20 0.45
FLT1 P17948 1/20 0.45
KDR P35968 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
SCHEMBL9428554 0.90 PTGS1 (0.50) MAPTHTTTP53DHODHTRPV1
SCHEMBL9428655 0.89 PTGS2 (0.51) MAPTHTTTP53TRPV1SMN1; SMN2
SCHEMBL9429944 0.87 KDM4E (0.53) MAPTHTTTP53DHODHSMN1; SMN2
SCHEMBL9428786 0.85 HTT (0.65) MAPTHTTTP53DHODHSMN1; SMN2
SCHEMBL9423064 0.80 MAPT (0.58) MAPTHTTTP53DHODHSMN1; SMN2
SCHEMBL9429928 0.80 HTT (0.53) MAPTHTTTP53DHODHSMN1; SMN2
SCHEMBL9429908 0.79 HTT (0.57) MAPTHTTTP53DHODHSMN1; SMN2
SCHEMBL9429463 0.78 PTGS2 (0.52) HTTTP53TRPV1SMN1; SMN2RORC
SCHEMBL9429927 0.78 HTT (0.56) MAPTHTTTP53DHODHSMN1; SMN2
SCHEMBL768777 0.78 PTGS1 (0.51) MAPTHTTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5328907-A Treatment of allograft rejection in mammals and antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1994-07-12 US disclosed
US-5108999-A For treating inflammation, autoimmune disease or allograft rejection in mammals SYNTEX (U.S.A.) INC. (US) 1992-04-28 US disclosed
US-5001124-A 4-isoxazolecarboxamide derivatives SYNTEX (U.S.A.) INC. (US) 1991-03-19 US disclosed