SCHEMBL9865046

SCHEMBL9865046

O=C(N/C(=N/CCCOc1ccccc1)Oc1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 4/20 0.59
SCN2A Q99250 4/20 0.59
RAB9A P51151 3/20 0.51
NPC1 O15118 3/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CACNA1H O95180 2/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 3/20 0.43
POLB P06746 3/20 0.43
MEN1 O00255 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
PKM P14618 1/20 0.42
TBXAS1 P24557 1/20 0.42
CACNA1B Q00975 1/20 0.42
MAPT P10636 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL9865051 1.00 SCN5A (0.59) SCN5ASCN2ARAB9ANPC1HPGD
SCHEMBL4629193 0.82 SCN5A (0.83) SCN5ASCN2ARAB9ANPC1HPGD
SCHEMBL9865611 0.81 FAAH (0.52) ALDH1A1
SCHEMBL4629278 0.74 SCN2A (1.00) SCN5ASCN2ANPC1SMN1; SMN2CACNA1H
SCHEMBL4629480 0.74 SCN2A (0.80) SCN5ASCN2ARAB9ACACNA1HALDH1A1
SCHEMBL9866781 0.72 SCN5A (0.46) SCN5ASCN2ANPC1SMN1; SMN2KMT2A
SCHEMBL9866787 0.72 SCN5A (0.46) SCN5ASCN2ANPC1SMN1; SMN2KMT2A
SCHEMBL9344656 0.71 ALDH1A1 (0.72) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL16293318 0.70 ALDH1A1 (0.52) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL9865059 0.70 RAB9A (0.55) RAB9ANPC1HPGDSMN1; SMN2KMT2A

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-5021431-A H-1 antagonist, h-2 agonist for treating hypertension, cardiac disease or arterial occlusion HEUMANN PHARMA GMBH & CO. (DE) 1991-06-04 US disclosed