SCHEMBL8241534

SCHEMBL8241534

Cc1cc([N+](=O)[O-])c(NC2CCNCC2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ HCAR3 P49019 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ BCL6 P41182 1/20 0.41
▸ BCOR Q6W2J9 1/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ ATAD2 Q6PL18 1/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ WNK1 Q9H4A3 2/20 0.39

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
SCHEMBL4964715 0.84 MAPT (0.48) MAPTCYP1A2CYP2C19CYP2C9HTT
SCHEMBL8241703 0.84 MAPT (0.48) MAPTCYP1A2CYP2C19CYP2C9HTT
Bromide SCHEMBL11023029 0.77 HCAR3 (0.52) MAPTCYP1A2CYP2C19CYP2C9HTT
Bromide SCHEMBL11509451 0.77 HCAR3 (0.52) MAPTCYP1A2CYP2C19CYP2C9HTT
Bromide SCHEMBL11097137 0.77 MAPT (0.58) MAPTCYP1A2CYP2C19CYP2C9HTT
SCHEMBL8234393 0.76 CD44 (0.43) CYP1A2CYP2C19CYP2C9MEN1KMT2A
SCHEMBL26350270 0.74 BRD4 (0.40) MAPTCYP1A2CYP2C19CYP2C9HTT
SCHEMBL4647601 0.74 ALDH1A1 (0.48) MAPTHTTMEN1KMT2AL3MBTL1
SCHEMBL29077669 0.74 BRD4 (0.44) MAPTCYP1A2CYP2C19CYP2C9HTT
SCHEMBL865610 0.74 MAPT (0.45) MAPTCYP1A2CYP2C19CYP2C9HTT

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-2007036718-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-05 — — WO disclosed
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