SCHEMBL5544381

SCHEMBL5544381

COc1c(CC(N)=O)cccc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPT P10636 6/20 0.42
▸ LMNA P02545 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TUBB4A P04350 3/20 0.42
▸ TUBB P07437 3/20 0.42
▸ TUBA3C P0DPH7 3/20 0.42
▸ TUBA1B P68363 3/20 0.42
▸ TUBA4A P68366 3/20 0.42
▸ TUBB4B P68371 3/20 0.42
▸ TUBB3 Q13509 3/20 0.42
▸ TUBB2A Q13885 3/20 0.42
▸ TUBB8 Q3ZCM7 3/20 0.42
▸ TUBA3E Q6PEY2 3/20 0.42
▸ TUBA1A Q71U36 3/20 0.42
▸ TUBA1C Q9BQE3 3/20 0.42

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
SCHEMBL5544388 0.82 APP (0.42) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL4832008 0.74 TDP1 (0.48) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL4829703 0.72 LMNA (0.49) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL23675461 0.72 POLB (0.44) ALDH1A1SMN1; SMN2MAPTLMNAKMT2A
SCHEMBL11291420 0.71 NR1H4 (0.55) ALDH1A1KMT2AHPGDTDP1
SCHEMBL4940053 0.70 NR1H4 (0.46) ALDH1A1HPGDGAA
SCHEMBL1032325 0.70 CA12 (0.50) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL9890762 0.69 PTGDR2 (0.54) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4685087 0.69 ALDH1A1 (0.42) ALDH1A1LMNAMEN1KMT2ACYP3A4
SCHEMBL29639810 0.69 ALDH1A1 (0.41) ALDH1A1KMT2APKM

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-20070112523-A1 Ligands for 17i as modulators of orthopox viruses and methods for discovery thereof TRANSTECH PHAMA,INC. 2007-05-17 — — US disclosed
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