SCHEMBL8347105

SCHEMBL8347105

O=[N+]([O-])c1cccc(C2=C3C=CC(=N3)C(c3ccccc3)=C3C=CC(=N3)C(c3ccccc3)=C3C=CC(=N3)C(c3ccccc3)=C3C=CC2=N3)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.50
▸ MAPT P10636 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ GSK3B P49841 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ TSHR P16473 1/20 0.44
▸ PDE4A P27815 1/20 0.44
▸ PDE4C Q08493 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ KEAP1 Q14145 1/20 0.44
▸ NFE2L2 Q16236 1/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ GUSB P08236 1/20 0.43
▸ ELANE P08246 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
SCHEMBL9879064 0.96 LMNA (0.48) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL8183397 0.91 MAPT (0.50) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL10587139 0.87 MAPK1 (0.47) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL8355907 0.87 MAPK1 (0.47) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL8186752 0.82 LMNA (0.38) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL27960535 0.81 ALDH1A1 (0.39) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL28565652 0.81 ALDH1A1 (0.49) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL28566541 0.81 ELANE (0.49) RAB9AMAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL26097426 0.80 APP (0.43) RAB9AMAPTNPC1ALDH1A1TDP1
SCHEMBL28548550 0.78 ALDH1A1 (0.56) RAB9AMAPTNPC1ALDH1A1NPSR1

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-5889181-A REDUCING NITRO GROUP TO AMINE; DIAZOTIZATION; SULPHONATION;HYDROLYSIS UNIVERSITY OF SHERBROOKE (CA) 1999-03-30 — — US disclosed
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