SCHEMBL10337477

SCHEMBL10337477

CCC(=O)OOC(=O)c1cccc(Oc2c(F)c(F)c(C)c(Cl)c2F)c1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 3/20 0.32
▸ POLB P06746 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HPD P32754 2/20 0.31
▸ TP53 P04637 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ SMN1; SMN2 Q16637 3/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL10337475 0.79 CDK2 (0.31) ALDH1A1CDK2HPD
SCHEMBL11116038 0.76 TSHR (0.43) ALDH1A1KMT2AMEN1MAPK1CDK2
SCHEMBL10972478 0.69 MAPT (0.41) ALDH1A1MAPTCDK2HPGDTP53
SCHEMBL11090841 0.67 HPGD (0.48) ALDH1A1KMT2APOLBMAPTMEN1
SCHEMBL9172243 0.65 CTSD (0.50) ALDH1A1KMT2APOLBMAPTHPGD
SCHEMBL23294948 0.63 TSHR (0.51) ALDH1A1KMT2APOLBMAPTMEN1
SCHEMBL29588719 0.63 TSHR (0.51) ALDH1A1KMT2APOLBMAPTMEN1
SCHEMBL17966270 0.63 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL26401595 0.62 ALDH1A1 (0.50) ALDH1A1KMT2APOLBMAPTMEN1
SCHEMBL30402800 0.62 ALDH1A1 (0.50) ALDH1A1KMT2APOLBMAPTMEN1

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
EP-0370644-A2 Herbicidal compounds ZENECA LIMITED (GB) 1990-05-30 — — EP disclosed
EP-0355049-A2 Heterocyclic compounds ZENECA LIMITED (GB) 1990-02-21 — — EP disclosed
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