SCHEMBL1984450

SCHEMBL1984450

COC(C)Oc1ccc([N+](=O)[O-])c(-c2cc(Cl)ncc2Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.38
MAPT P10636 7/20 0.37
ALDH1A1 P00352 5/20 0.37
LMNA P02545 4/20 0.37
MAPK1 P28482 4/20 0.37
HPGD P15428 3/20 0.37
RAF1 P04049 1/20 0.37
GFER P55789 1/20 0.37
PAX8 Q06710 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
PIN1 Q13526 2/20 0.34
VCAM1 P19320 1/20 0.34
HTT P42858 1/20 0.34
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL1979322 0.87 MERTK (0.47) MERTKMAPTALDH1A1LMNAMAPK1
SCHEMBL1984451 0.81 MAPT (0.41) MERTKMAPTALDH1A1LMNAMAPK1
SCHEMBL1980018 0.79 KDM1A (0.34) LMNASMN1; SMN2
SCHEMBL1979335 0.77 PIN1 (0.37) ALDH1A1MAPK1HPGDTDP1PIN1
SCHEMBL12597604 0.76 FFAR4 (0.37) MERTKMAPK1PIN1MEN1KMT2A
SCHEMBL28059438 0.74 ALDH1A1 (0.53) MAPTALDH1A1LMNAMAPK1HPGD
SCHEMBL1981547 0.70 ALDH1A1 (0.42) MAPTALDH1A1LMNAMAPK1HPGD
SCHEMBL1979039 0.68 ALDH1A1 (0.47) MAPTALDH1A1LMNAMAPK1HPGD
SCHEMBL11199415 0.67 ALDH1A1 (0.54) MERTKMAPTALDH1A1LMNAMAPK1
SCHEMBL268657 0.67 TDP1 (0.57) MAPTALDH1A1LMNAMAPK1HPGD

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-2011070299-A1 TRI-SUBSTITUTED 9H-BETA-CARBOLINE (OR 9H-PYRIDO[3,4-B]INDOLE) DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 WO disclosed