SCHEMBL9866787

SCHEMBL9866787

O=C(NC(=NCCSCc1ccc2ccccc2c1)Oc1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.46
SCN2A Q99250 1/20 0.46
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MCHR1 Q99705 3/20 0.40
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
FTO Q9C0B1 1/20 0.37
MAPT P10636 3/20 0.37
NPC1 O15118 1/20 0.37
FAAH O00519 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL9866781 1.00 SCN5A (0.46) SCN5ASCN2ALMNASMN1; SMN2MCHR1
SCHEMBL9866791 0.77 LMNA (0.45) LMNASMN1; SMN2HTTATMMAPT
SCHEMBL9865046 0.72 SCN5A (0.59) SCN5ASCN2ASMN1; SMN2MAPTNPC1
SCHEMBL9865051 0.72 SCN5A (0.59) SCN5ASCN2ASMN1; SMN2MAPTNPC1
SCHEMBL9866134 0.70 SCN5A (0.37) SCN5ASCN2ALMNASMN1; SMN2MCHR1
SCHEMBL9866141 0.70 SCN5A (0.37) SCN5ASCN2ALMNASMN1; SMN2MCHR1
SCHEMBL9866790 0.70 SCN5A (0.33) SCN5ASCN2A
SCHEMBL4627550 0.69 SCN2A (0.84) SCN5ASCN2ALMNASMN1; SMN2
SCHEMBL9264842 0.68 CYP2C19 (0.67) LMNASMN1; SMN2HTTATMNR1H4
SCHEMBL1128514 0.67 HTT (0.53) LMNASMN1; SMN2HTTATMFTO

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