SCHEMBL22062047

SCHEMBL22062047

Cc1ccc(/N=N/Nc2cccc(C#N)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 2/20 0.55
F9 P00740 1/20 0.45
SLC2A1 P11166 1/20 0.45
NPC1 O15118 7/20 0.43
RAB9A P51151 7/20 0.43
MAPT P10636 6/20 0.43
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
HPGD P15428 2/20 0.43
CYP1A1 P04798 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
IDO1 P14902 1/20 0.39
CYP2A6 P11509 1/20 0.39

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
SCHEMBL22062162 0.86 CYP1B1 (0.54) CYP1B1NPC1RAB9AMAPTALDH1A1
SCHEMBL22062152 0.73 RAB9A (0.67) CYP1B1NPC1RAB9AMAPTALDH1A1
SCHEMBL9655209 0.73 RAB9A (0.67) CYP1B1NPC1RAB9AMAPTALDH1A1
SCHEMBL2003780 0.73 RAB9A (0.67) CYP1B1NPC1RAB9AMAPTALDH1A1
SCHEMBL24133223 0.73 TDP1 (0.52) CYP1B1NPC1RAB9AMAPTALDH1A1
SCHEMBL11278819 0.73 TDP1 (0.52) CYP1B1NPC1RAB9AMAPTALDH1A1
SCHEMBL11278840 0.73 TDP1 (0.52) CYP1B1NPC1RAB9AMAPTALDH1A1
SCHEMBL22062049 0.72 TDP1 (0.49) CYP1B1NPC1RAB9AMAPTALDH1A1
SCHEMBL26484488 0.72 CYP1B1 (1.00) CYP1B1NPC1RAB9AMAPTALDH1A1
SCHEMBL4751885 0.71 NPC1 (0.49) CYP1B1NPC1RAB9AMAPTALDH1A1

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
US-10678156-B2 Pigment dispersion, method for manufacturing toner, aqueous ink, and triazo compound CANON KABUSHIKI KAISHA (JP) 2020-06-09 US disclosed