SCHEMBL9429668

SCHEMBL9429668

COc1ccc(NC(=O)c2c(C(=O)O)noc2-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.57
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
GAA P10253 4/20 0.52
POLB P06746 3/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPT P10636 4/20 0.51
ALDH1A1 P00352 4/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
RECQL P46063 2/20 0.49
TP53 P04637 1/20 0.49
NR4A1 P22736 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HPGD P15428 1/20 0.49
DHODH Q02127 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
CYP1A2 P05177 1/20 0.47

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
SCHEMBL9429412 0.92 HIF1A (0.56) HIF1ANPC1RAB9AGAAPOLB
SCHEMBL9429300 0.85 SMN1; SMN2 (0.52) SMN1; SMN2TP53
SCHEMBL9429244 0.83 NPC1 (0.56) HIF1ANPC1RAB9AGAAPOLB
SCHEMBL9429463 0.81 PTGS2 (0.52) SMN1; SMN2TP53PTGS1
SCHEMBL9428463 0.80 KDM4E (0.54) HIF1ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9428554 0.77 PTGS1 (0.50) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL9428655 0.76 PTGS2 (0.51) NPC1RAB9AGAAPOLBSMN1; SMN2
SCHEMBL7704976 0.74 MAPT (0.61) NPC1RAB9AGAAPOLBSMN1; SMN2
SCHEMBL9429944 0.74 KDM4E (0.53) HIF1ANPC1RAB9AGAASMN1; SMN2
SCHEMBL13902162 0.74 MAPT (0.82) NPC1RAB9ASMN1; SMN2KDM4EMAPT

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