SCHEMBL9615522

SCHEMBL9615522

NCCCNc1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 3/20 0.53
IDO1 P14902 2/20 0.49
MAPT P10636 3/20 0.43
FERMT2 Q96AC1 1/20 0.43
CA12 O43570 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 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
SCHEMBL7270407 0.88 CA12 (0.55) KAT2BIDO1MAPTFERMT2CA12
SCHEMBL9421891 0.87 MAPT (0.52) IDO1MAPTMEN1KMT2AHTT
SCHEMBL11118699 0.82 MAPT (0.44) IDO1MAPTMEN1KMT2AHTT
SCHEMBL9069882 0.80 NR4A2 (0.53) IDO1MAPTMEN1KMT2AHTT
SCHEMBL11114472 0.80 MAPT (0.51) IDO1MAPTMEN1KMT2AHTT
SCHEMBL4165647 0.80 MEN1 (0.46) KAT2BIDO1MAPTMEN1KMT2A
SCHEMBL10734735 0.78 TAAR1 (0.48) IDO1MAPTMEN1KMT2AHTT
Hydrochloric Acid SCHEMBL28958615 0.78 NR4A2 (0.51) IDO1MAPTMEN1KMT2AHTT
SCHEMBL9320885 0.78 KAT2B (0.54) KAT2BIDO1MAPTCA12CA3
SCHEMBL20159233 0.78 TAAR1 (0.52) IDO1MAPTMEN1KMT2AHTT

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
JP-4145120-A None JP disclosed
JP-H04145120-A EPOXY RESIN COMPOSITION KOEI CHEM CO LTD 1992-05-19 JP disclosed