SCHEMBL9429183

SCHEMBL9429183

CCOC(=O)c1ccc(-c2ccc(N)s2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.58
LMNA P02545 2/20 0.58
CYP3A4 P08684 1/20 0.58
MAOA P21397 1/20 0.58
PRF1 P14222 1/20 0.53
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA12 O43570 1/20 0.51
ESR1 P03372 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
ESR2 Q92731 1/20 0.51
CA14 Q9ULX7 1/20 0.51
RAB9A P51151 9/20 0.51
MAPT P10636 8/20 0.51
NPC1 O15118 8/20 0.51
SMN1; SMN2 Q16637 7/20 0.51
ALDH1A1 P00352 5/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51

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
SCHEMBL18832290 0.83 PRF1 (0.54) CYP1A2LMNACYP3A4MAOAPRF1
SCHEMBL5204528 0.82 PRF1 (0.56) CYP1A2LMNACYP3A4MAOAPRF1
SCHEMBL3772607 0.78 CSNK2A1 (0.62) CYP1A2LMNACYP3A4MAOACA1
SCHEMBL5207670 0.78 PRF1 (0.56) CYP1A2LMNACYP3A4MAOAPRF1
SCHEMBL16351874 0.78 CA1 (0.73) CYP1A2LMNACYP3A4MAOACA1
SCHEMBL1965326 0.78 CA1 (0.73) CYP1A2LMNACYP3A4MAOACA1
SCHEMBL11374568 0.77 LMNA (0.89) CYP1A2LMNACYP3A4MAOACA1
SCHEMBL5556244 0.77 CA12 (0.66) CYP1A2LMNACYP3A4MAOACA1
SCHEMBL87450 0.76 CA1 (0.83) CYP1A2LMNACYP3A4MAOACA1
SCHEMBL2028546 0.76 MAPT (0.62) CYP1A2LMNACYP3A4MAOARAB9A

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 4 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
EP-0440503-A1 4-Isoxazolecarboxamide derivatives SYNTEX (U.S.A.) INC. (US) 1991-08-07 EP disclosed
US-5001124-A 4-isoxazolecarboxamide derivatives SYNTEX (U.S.A.) INC. (US) 1991-03-19 US disclosed