SCHEMBL7309841

SCHEMBL7309841

COC(=O)Nc1cccc(C([NH])=O)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
RAB9A P51151 5/20 0.51
RXFP1 Q9HBX9 2/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
MAPK1 P28482 2/20 0.51
FAAH O00519 1/20 0.51
CYP3A4 P08684 1/20 0.51
NPC1 O15118 3/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MITF O75030 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL11655094 0.86 NPSR1 (0.62) CYP1A2RAB9AALDH1A1HPGDMAPK1
SCHEMBL2096845 0.86 CYP1A2 (0.69) CYP1A2RAB9AALDH1A1HPGDMAPK1
SCHEMBL11654124 0.84 RAB9A (0.71) CYP1A2RAB9AALDH1A1HPGDCYP3A4
SCHEMBL8475408 0.84 RAB9A (0.65) CYP1A2RAB9AALDH1A1NPC1MEN1
SCHEMBL716889 0.83 MAPK1 (0.62) CYP1A2RAB9AALDH1A1HPGDMAPK1
SCHEMBL7309848 0.83 PARP1 (0.64) CYP1A2RAB9AALDH1A1MAPK1FAAH
SCHEMBL2615685 0.83 CYP1A2 (0.53) CYP1A2RAB9ARXFP1ALDH1A1HPGD
SCHEMBL7041993 0.82 ALDH1A1 (0.59) CYP1A2RAB9AALDH1A1NPC1LMNA
SCHEMBL11653085 0.78 MGLL (0.58) ALDH1A1MAPK1FAAHCYP3A4MEN1
SCHEMBL11283531 0.77 MAPK1 (0.59) CYP1A2RAB9AALDH1A1HPGDMAPK1

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-5324648-A Anticoagulants; antitumor agents GEORGIA TECH RESEARCH CORPORATION (US) 1994-06-28 US disclosed
US-5089633-A Protease inhibitors, antiinflammatory agents GEORGIA TECH RESEARCH CORPORATION (US) 1992-02-18 US disclosed