SCHEMBL10432175

SCHEMBL10432175

COc1ccc(Cn2c(S)nnc2-c2cccnc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.55
▸ DCTPP1 Q9H773 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.48
▸ MAPT P10636 2/20 0.48
▸ BCHE P06276 3/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CYP11B1 P15538 3/20 0.46
▸ CYP11B2 P19099 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ PIK3CD O00329 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL14195569 0.85 CYP3A4 (0.56) LMNADCTPP1ALDH1A1MAPTBCHE
SCHEMBL10432075 0.84 ALDH1A1 (0.56) LMNAALDH1A1MAPTCYP11B2SMN1; SMN2
SCHEMBL10432253 0.84 ALDH1A1 (0.45) LMNAALDH1A1MAPTBCHECYP11B2
SCHEMBL1104386 0.81 ALDH1A1 (0.59) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL6407017 0.79 MEN1 (0.60) DCTPP1ALDH1A1MAPTBCHEMEN1
SCHEMBL1545128 0.77 ALDH1A1 (0.56) LMNAALDH1A1MAPTMEN1MAPK1
SCHEMBL4214464 0.74 LMNA (0.77) LMNAALDH1A1MAPTMEN1MAPK1
SCHEMBL1544956 0.72 HSD17B10 (0.64) LMNAALDH1A1MAPTBCHEMEN1
SCHEMBL12836975 0.71 PIK3CD (0.53) ALDH1A1MAPTCYP11B1CYP11B2NPC1
SCHEMBL18556558 0.71 LMNA (1.00) LMNAALDH1A1MAPTMEN1MAPK1

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
EP-0359505-A1 Dopamine-beta hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1990-03-21 — — EP disclosed
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