SCHEMBL9036296

SCHEMBL9036296

[CH2]CCCNC(=O)C1CCCCCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.64
KEAP1 Q14145 1/20 0.55
NFE2L2 Q16236 1/20 0.55
EPHX1 P07099 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.47
HSD17B10 Q99714 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
EPHX2 P34913 1/20 0.46
RAB9A P51151 1/20 0.46
NAMPT P43490 1/20 0.46
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.44
CHRM1 P11229 1/20 0.43
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42

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
SCHEMBL9035898 1.00 NAAA (0.64) NAAAKEAP1NFE2L2EPHX1SMN1; SMN2
SCHEMBL2115641 0.98 NAAA (0.61) NAAAKEAP1NFE2L2EPHX1SMN1; SMN2
SCHEMBL9034167 0.94 NAAA (0.56) NAAAKEAP1NFE2L2EPHX1SMN1; SMN2
SCHEMBL9776358 0.93 NAAA (0.70) NAAAKEAP1NFE2L2EPHX1SMN1; SMN2
SCHEMBL8455292 0.93 NAAA (0.70) NAAAKEAP1NFE2L2EPHX1SMN1; SMN2
SCHEMBL1689436 0.90 KMT2A (0.50) NAAAKEAP1NFE2L2EPHX1SMN1; SMN2
SCHEMBL9034554 0.88 NAAA (0.58) NAAAKEAP1NFE2L2EPHX1SMN1; SMN2
SCHEMBL1740262 0.88 NAAA (0.58) NAAAKEAP1NFE2L2EPHX1SMN1; SMN2
SCHEMBL17172545 0.86 NAAA (0.82) NAAAKEAP1NFE2L2EPHX1SMN1; SMN2
SCHEMBL9035265 0.86 NAAA (0.55) NAAAKEAP1NFE2L2EPHX1SMN1; SMN2

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
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO disclosed