SCHEMBL11748071

SCHEMBL11748071

CC[n+]1c(C)sc2cc([N+](=O)[O-])ccc21.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.53

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.53
▸ LMNA P02545 3/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.47
▸ POLB P06746 1/20 0.43
▸ THRB P10828 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ PKM P14618 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ACHE P22303 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ CYP1A2 P05177 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
SCHEMBL6574366 0.87 MAPT (0.71) MAPTLMNAKDM4EALDH1A1POLB
Iodide SCHEMBL3860161 0.87 MAPT (0.61) MAPTLMNAKDM4EALDH1A1POLB
SCHEMBL6517662 0.85 INSR (0.44) MAPTLMNAKDM4EALDH1A1KMT2A
SCHEMBL10589290 0.82 MAPT (0.57) MAPTLMNAKDM4EALDH1A1POLB
SCHEMBL16195477 0.81 MAPT (0.60) MAPTLMNAKDM4EALDH1A1POLB
SCHEMBL7997704 0.81 MAPT (0.54) MAPTLMNAKDM4EALDH1A1POLB
SCHEMBL8009677 0.79 MAPT (0.61) MAPTLMNAKDM4EALDH1A1POLB
SCHEMBL2030271 0.79 MAPT (0.54) MAPTLMNAKDM4EALDH1A1POLB
SCHEMBL8775058 0.78 MAPT (0.50) MAPTLMNAKDM4EALDH1A1POLB
SCHEMBL6822938 0.75 MAPT (0.50) MAPTLMNAKDM4EALDH1A1POLB

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-RE29168-E HEAT SENSITIVE, ANTIHALATION LAYER EASTMAN KODAK COMPANY (US) 1977-04-05 — — US disclosed
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