SCHEMBL9686537

SCHEMBL9686537

Nc1ccc2c(c1)OCC(=O)N2Cc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.53
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.46
MAPT P10636 1/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
ALOX15 P16050 1/20 0.44
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.42
SCN9A Q15858 4/20 0.42
OPRK1 P41145 1/20 0.41
CALCA P06881 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL9687662 0.86 BRD4 (0.53) BRD4ALDH1A1TSHRMAPTHDAC1
SCHEMBL9685790 0.83 BRD4 (0.53) BRD4ALDH1A1TSHRMAPTHDAC1
SCHEMBL9687134 0.82 BRD4 (0.50) BRD4ALDH1A1TSHRMAPTHDAC1
SCHEMBL758149 0.81 BRD4 (0.57) BRD4ALDH1A1TSHRMAPTMEN1
SCHEMBL29978712 0.81 BRD4 (0.57) BRD4ALDH1A1TSHRMAPTMEN1
SCHEMBL9685812 0.80 BRD4 (0.51) BRD4ALDH1A1TSHRMAPTHDAC1
SCHEMBL18497028 0.80 BRD4 (0.62) BRD4ALDH1A1TSHRMAPTHDAC1
SCHEMBL27376464 0.78 ATAD2 (0.58) BRD4ALDH1A1HDAC1HDAC6MEN1
SCHEMBL30806763 0.78 ATAD2 (0.58) BRD4ALDH1A1HDAC1HDAC6MEN1
SCHEMBL5340711 0.78 BRD4 (0.63) BRD4ALDH1A1TSHRMAPTHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0296416-B1 BENZO-ANELLATED CYCLIC COMPOUNDS NIHON BAYER AGROCHEM K.K. (JP) 1992-07-29 EP disclosed
US-5077401-A Herbicides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1991-12-31 US disclosed
US-4902335-A Benzo-fused cyclic compounds NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1990-02-20 US disclosed
EP-0296416-A1 Benzo-anellated cyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1988-12-28 EP disclosed