SCHEMBL10622715

SCHEMBL10622715

CC(C(=O)O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 6/20 0.57
▸ HTT P42858 2/20 0.49
▸ MAPT P10636 4/20 0.49
▸ PTGES O14684 1/20 0.46
▸ GAA P10253 1/20 0.44
▸ PDE7B Q9NP56 2/20 0.44
▸ PDE4B Q07343 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41

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
SCHEMBL8394979 0.78 PDE7A (0.56) PDE7AHTTMAPTPTGESGAA
SCHEMBL10622791 0.78 HPGD (0.47) PDE7AHTTMAPTALDH1A1HPGD
SCHEMBL9235115 0.77 SIRT1 (0.47) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL8866097 0.76 PDE7A (0.68) PDE7AMAPTPTGESGAAPDE7B
SCHEMBL16216330 0.75 AKR1C3 (0.52) MAPTGAALMNAAKR1C3AKR1C2
SCHEMBL16207559 0.75 AKR1C3 (0.52) MAPTGAALMNAAKR1C3AKR1C2
SCHEMBL10914645 0.75 AKR1C3 (0.52) HTTMAPTGAALMNAAKR1C3
SCHEMBL5804176 0.75 HSD17B10 (0.51) MAPTGAASMN1; SMN2LMNAAKR1C3
SCHEMBL11180168 0.74 TXNRD1 (0.54) PDE7AHTTMAPTGAAPDE7B
SCHEMBL6039967 0.74 TXNRD1 (0.74) PDE7AHTTMAPTGAAPDE7B

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-4771062-A ENZYME INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1988-09-13 — — US disclosed
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