SCHEMBL8689288

SCHEMBL8689288

CCCCOc1cc(C)[n+]([O-])c(N)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TLR8 Q9NR97 3/20 0.36
CDK1 P06493 3/20 0.35
CCNB1 P14635 3/20 0.35
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
CCNA1 P78396 2/20 0.35
PIN1 Q13526 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL8692203 0.92 MAPT (0.37) MEN1MAPTKMT2ATSHRALDH1A1
SCHEMBL6402618 0.86 TLR8 (0.37) MEN1MAPTKMT2ATSHRALDH1A1
SCHEMBL8687585 0.85 ALDH1A1 (0.40) MEN1MAPTKMT2ATSHRALDH1A1
SCHEMBL7637855 0.84 MEN1 (0.36) MEN1MAPTKMT2ATSHRALDH1A1
SCHEMBL6832705 0.81 CDK1 (0.40) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL6401579 0.80 TLR8 (0.40) TSHRTLR8CDK1CCNB1CCNA2
SCHEMBL6397725 0.80 TLR8 (0.40) TSHRTLR8CDK1CCNB1CCNA2
SCHEMBL6403131 0.80 TLR8 (0.40) TSHRTLR8CDK1CCNB1CCNA2
SCHEMBL7636319 0.80 MEN1 (0.38) MEN1MAPTKMT2ATSHRALDH1A1
SCHEMBL7638274 0.79 MAPT (0.37) MEN1MAPTKMT2ATSHRALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760043-A USING 2-AMINOPYRIDINE-3-OXIDE L'OREAL (FR) 1998-06-02 US disclosed
US-5610302-A TREATMENT OF DISEASES OF SCALP DERMATITIS L'OREAL (FR) 1997-03-11 US disclosed