SCHEMBL29886723

SCHEMBL29886723

O=C(O)c1cc(Br)c(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 1/20 0.51
▸ TSHR P16473 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ TPMT P51580 1/20 0.46
▸ TTR P02766 1/20 0.46
▸ VCAM1 P19320 2/20 0.45
▸ GPR35 Q9HC97 1/20 0.44
▸ HCAR3 P49019 5/20 0.44
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL3146159 0.87 CASP6 (0.60) CASP6TSHRLMNAALDH1A1MEN1
Hydrochloric Acid SCHEMBL10571715 0.85 CASP6 (0.58) CASP6TSHRLMNAALDH1A1MEN1
SCHEMBL10756347 0.82 CASP6 (0.55) CASP6TSHRLMNAALDH1A1MEN1
SCHEMBL29111608 0.82 CASP6 (0.55) CASP6TSHRLMNAALDH1A1MEN1
SCHEMBL30629252 0.82 CASP6 (0.55) CASP6TSHRLMNAALDH1A1MEN1
SCHEMBL8841185 0.81 CASP6 (0.62) CASP6TSHRLMNAALDH1A1MEN1
SCHEMBL15408520 0.81 VCAM1 (0.49) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL9706244 0.81 TTR (0.62) CASP6TSHRLMNAALDH1A1TPMT
SCHEMBL2895332 0.81 CASP6 (0.53) CASP6TSHRLMNAALDH1A1TPMT
SCHEMBL22121032 0.81 TPMT (0.59) CASP6TSHRLMNAALDH1A1MEN1

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
WO-2022138791-A1 EP2 ANTAGONIST 小野薬品工業株式会社 2022-06-30 — — WO disclosed
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