SCHEMBL11704303

SCHEMBL11704303

O=C(O)c1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCNC2CCCCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ HCAR3 P49019 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ GPR55 Q9Y2T6 1/20 0.45
▸ ALDH1A1 P00352 6/20 0.44
▸ MAPT P10636 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.40
▸ THRB P10828 1/20 0.37
▸ VDR P11473 1/20 0.37
▸ PPARG P37231 1/20 0.37

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
SCHEMBL11710375 0.78 CNR2 (0.57) KMT2AMEN1ALDH1A1HTTKDM4E
SCHEMBL11802836 0.78 GAA (0.57) HCAR3LMNAALDH1A1MAPT
Hydrochloric Acid SCHEMBL11709751 0.78 CNR2 (0.56) KMT2AMEN1ALDH1A1HTTKDM4E
SCHEMBL11847710 0.74 HCAR3 (0.47) KMT2AMEN1HCAR3LMNAALDH1A1
SCHEMBL30241160 0.72 MAPT (0.44) KMT2AMEN1HCAR3LMNAALDH1A1
SCHEMBL28945979 0.72 MAPT (0.44) KMT2AMEN1HCAR3LMNAALDH1A1
SCHEMBL135289 0.71 CASP6 (0.47) KMT2AMEN1HCAR3LMNAALDH1A1
SCHEMBL11712878 0.70 KMT2A (0.58) KMT2AMEN1LMNAPPARG
SCHEMBL11849884 0.70 HCAR3 (0.56) KMT2AMEN1HCAR3LMNAGPR55
SCHEMBL7826598 0.70 VCAM1 (0.49) KMT2AMEN1HCAR3LMNAALDH1A1

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-4010193-A (ALKYLAMINO)ALKYL SUBSTITUTED BENZOATES, LOCAL ANESTHETIC, ANTIFIBRILLATORY, ANTIARRHYTHMIAL CHINOIN GYOGYSZER-ES VEGYESZETI TERMEKEK GYARA RT (HU) 1977-03-01 — — US disclosed
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