SCHEMBL31634032

SCHEMBL31634032

COc1cc(SCCCCl)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.44
▸ MAPT P10636 6/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ LMNA P02545 4/20 0.44
▸ HPGD P15428 4/20 0.44
▸ HTT P42858 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ AR P10275 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PRSS1 P07477 3/20 0.41
▸ SIRT6 Q8N6T7 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL28985026 0.92 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL31634065 0.86 CHEK1 (0.45) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL11962581 0.83 SMN1; SMN2 (0.46) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL29811305 0.83 SMN1; SMN2 (0.46) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL10854280 0.81 AR (0.51) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL11962590 0.79 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL17197367 0.79 SMN1; SMN2 (0.52) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL7571419 0.78 ALDH1A1 (0.55) ALDH1A1MAPTLMNAHTTTDP1
SCHEMBL21410342 0.78 CYP2D6 (0.56) ALDH1A1MAPTSMN1; SMN2LMNANPC1
SCHEMBL14993876 0.76 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2LMNAHPGD

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
CN-120192307-A Compounds targeting p53 mutations 上海齐鲁制药研究中心有限公司 2025-06-24 — — CN disclosed
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