Sugi Predict

Sugi Predict / Compounds / SCHEMBL7987286

SCHEMBL7987286

SCHEMBL7987286

CC(=NOC(=O)C(=O)ON=C(C)c1cccc(OCCCc2c[nH]cn2)c1)c1cccc(OCCCc2c[nH]cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ FAAH O00519 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ PRSS1 P07477 6/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SMPD1 P17405 3/20 0.37
▸ MAPT P10636 1/20 0.37
▸ FURIN P09958 1/20 0.36

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
SCHEMBL4543078 0.86 PRSS1 (0.38) KMT2AMEN1PRSS1ALDH1A1SMPD1
SCHEMBL4543075 0.86 PRSS1 (0.38) KMT2AMEN1PRSS1ALDH1A1SMPD1
SCHEMBL4379687 0.86 KMT2A (0.50) KMT2AMEN1ALDH1A1
Oxalic Acid SCHEMBL7987283 0.86 KMT2A (0.41) KMT2AMEN1ALDH1A1SMPD1MAPT
Oxalic Acid SCHEMBL7987278 0.86 KMT2A (0.41) KMT2AMEN1ALDH1A1SMPD1MAPT
SCHEMBL4543312 0.83 KMT2A (0.49) KMT2AMEN1ALDH1A1SMPD1
SCHEMBL4383633 0.82 KMT2A (0.45) KMT2ASMPD1
Oxalic Acid SCHEMBL4378004 0.80 MAOB (0.47) KMT2AMEN1ALDH1A1SMPD1
SCHEMBL8794353 0.80 MAOB (0.47) KMT2AMEN1ALDH1A1
SCHEMBL4394341 0.79 MCL1 (0.37) KMT2AALDH1A1

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
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 — — US disclosed