SCHEMBL1984451

SCHEMBL1984451

COCCOc1ccc([N+](=O)[O-])c(-c2cc(Cl)ncc2Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALPG P10696 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MERTK Q12866 1/20 0.38
VCAM1 P19320 1/20 0.37
S1PR4 O95977 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 2/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
PDE2A O00408 2/20 0.36

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) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL1984450 0.81 MERTK (0.38) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL1980019 0.79 CHEK2 (0.40) ALDH1A1PDE2APDE10A
SCHEMBL1979336 0.77 NPC1 (0.44) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL12597604 0.76 FFAR4 (0.37) KMT2ANPC1RAB9AMERTKMEN1
SCHEMBL1663359 0.75 MAPT (0.55) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL16025774 0.73 MAPT (0.64) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL30686032 0.73 MAPT (0.47) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL28528923 0.73 MAPT (0.47) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL12597372 0.72 MAOA (0.40) TDP1HPGDKDM4EPDE2APDE10A

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
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
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