SCHEMBL21799692

SCHEMBL21799692

NCc1cccc(CNc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.54
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HIF1A Q16665 2/20 0.50
HTR6 P50406 1/20 0.50
CFD P00746 1/20 0.50
LTA4H P09960 1/20 0.49
HTT P42858 1/20 0.48
HDAC4 P56524 1/20 0.47
MEF2D Q14814 1/20 0.47
HTR2C P28335 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
BLM P54132 1/20 0.46

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
SCHEMBL10054970 0.90 HDAC8 (0.61) HDAC8HDAC6HIF1ALTA4HHTT
SCHEMBL1681160 0.89 HTR6 (0.54) LOXL2HTR6CFDHTTHTR2C
SCHEMBL1680443 0.86 CYP1A2 (0.58) LOXL2HIF1ALTA4HHTTMEN1
SCHEMBL1680437 0.84 HTT (0.62) LOXL2HTTMEN1ALDH1A1GAA
SCHEMBL19008844 0.82 HIF1A (0.55) HDAC8HDAC6HIF1ALTA4HHTT
SCHEMBL10054997 0.81 HTT (0.56) HDAC8HDAC6HIF1ALTA4HHTT
SCHEMBL9454973 0.81 HDAC8 (0.57) HDAC8HDAC6HIF1ALTA4HHTT
SCHEMBL17266296 0.81 MAOA (0.57) HDAC8HDAC6HIF1ALTA4HHTT
SCHEMBL17504543 0.80 LOXL2 (0.58) LOXL2CFDHTTKDM4EMEN1
Hydrochloric Acid SCHEMBL9454963 0.79 HDAC8 (0.55) HDAC8HDAC6HIF1ALTA4HHTT

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-3623398-A1 MODIFIED BLOCK COPOLYMER, METHOD FOR PRODUCING MODIFIED BLOCK COPOLYMER, AND RESIN COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2020-03-18 EP disclosed