SCHEMBL6632469

SCHEMBL6632469

O=[N+]([O-])c1ccc(C[CH]c2ccncc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
POLB P06746 3/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
UBE2N P61088 1/20 0.50
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
CYP19A1 P11511 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
IDO1 P14902 2/20 0.42

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
SCHEMBL5552353 0.83 CYP1A2 (0.53) MAPTNPC1RAB9AALDH1A1L3MBTL1
SCHEMBL322726 0.80 ACHE (0.60) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL8495199 0.80 CYP1A2 (0.63) MAPTNPC1RAB9AALDH1A1LOXL2
SCHEMBL9531493 0.80 LOXL2 (0.46) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL7655222 0.80 ACHE (0.60) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL8425628 0.79 CYP1A2 (0.53) MAPTALDH1A1L3MBTL1KMT2ACYP1A2
SCHEMBL8202649 0.78 CYP3A4 (0.48) MAPTNPC1RAB9AALDH1A1LOXL2
SCHEMBL6632472 0.77 POLB (0.79) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL28018804 0.77 MAPT (0.79) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL62411 0.77 MAPT (1.00) MAPTPOLBNPC1RAB9AALDH1A1

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
EP-1104424-B1 PROCESS FOR THE SYNTHESIS OF CARBAPENEM INTERMEDIATES MERCK & CO INC (US) 2004-04-07 EP claimed