SCHEMBL12912969

SCHEMBL12912969

Cc1ccc(/C2=N/c3ccccc3/N=C(/c3ccc(C)cc3)c3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.46
RAB9A P51151 10/20 0.46
SMN1; SMN2 Q16637 7/20 0.46
MAPT P10636 6/20 0.46
ALDH1A1 P00352 3/20 0.46
PKM P14618 3/20 0.46
KDM4E B2RXH2 2/20 0.46
IDO1 P14902 1/20 0.46
LMNA P02545 3/20 0.45
GAA P10253 1/20 0.45
SYK P43405 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NFKB1 P19838 3/20 0.38
NFKB2 Q00653 3/20 0.38
RELA Q04206 3/20 0.38
POLB P06746 3/20 0.38
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL12912867 0.92 IDO1 (0.50) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL14455178 0.83 LTA4H (0.43) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL18088429 0.82 HDAC3 (0.59) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL28428006 0.81 ALDH1A1 (0.54) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL8022153 0.81 CNR1 (0.46) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL30145190 0.81 HRH4 (0.47) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL14455177 0.81 IDO1 (0.41) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL5579205 0.80 RAB9A (0.42) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL14455172 0.79 IDO1 (0.46) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL5602494 0.76 NPC1 (0.37) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420750-B2 Copolymers of dibendiazocine with difunctional monomers containing sulfone and/or ketone units SOLVAY ADVANCED POLYMERS, L.L.C. (US) 2013-04-16 US disclosed
US-20110009563-A1 Copolymers of dibendiazocine with difunctional monomers containing sulfone and/or ketone units SOLVAY ADVANCED POLYMERS, L.L.C. (US) 2011-01-13 US disclosed
US-7238771-B2 Dibenzodiazocine polymers SOLVAY ADVANCED POLYMERS, L.L.C. (US) 2007-07-03 US disclosed