SCHEMBL7974429

SCHEMBL7974429

COCCOCCOCCOCCOCCSc1cccc(CSc2nc3cc(N)ccc3[nH]2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.42
SMN1; SMN2 Q16637 7/20 0.41
HTT P42858 3/20 0.38
LMNA P02545 6/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 5/20 0.37
RAB9A P51151 4/20 0.37
TP53 P04637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2E1 P05181 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 2/20 0.36
NFKB1 P19838 2/20 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
SCHEMBL7974431 0.88 SMN1; SMN2 (0.55) ARSMN1; SMN2HTTLMNAMEN1
SCHEMBL7974426 0.88 SMN1; SMN2 (0.55) ARSMN1; SMN2HTTLMNAMEN1
SCHEMBL7964022 0.87 AR (0.41) ARSMN1; SMN2HTTLMNAMEN1
SCHEMBL7977451 0.84 SMN1; SMN2 (0.39) ARSMN1; SMN2HTTLMNAMEN1
SCHEMBL7963868 0.84 SMN1; SMN2 (0.42) ARSMN1; SMN2HTTLMNAMEN1
SCHEMBL7964032 0.76 NPC1 (0.60) ARSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL7964010 0.73 SMN1; SMN2 (0.61) ARSMN1; SMN2HTTLMNAMEN1
SCHEMBL7964121 0.73 SMN1; SMN2 (0.61) ARSMN1; SMN2HTTLMNAMEN1
SCHEMBL8915335 0.72 NPC1 (0.56) ARSMN1; SMN2HTTLMNAMEN1
SCHEMBL8915101 0.72 NPC1 (0.56) ARSMN1; SMN2HTTLMNAMEN1

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
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO claimed
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO disclosed