SCHEMBL7574870

SCHEMBL7574870

CNC(=O)c1[c]cccc1Br

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC2 Q92769 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.35
CREBBP Q92793 1/20 0.33
CA2 P00918 1/20 0.33
USP2 O75604 1/20 0.33
PLK1 P53350 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
BRD4 O60885 1/20 0.32
EGFR P00533 1/20 0.32

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
SCHEMBL27989848 0.79 GAA (0.36) ALDH1A1HDAC8HDAC6HDAC2GAA
SCHEMBL10388317 0.79 THRB (0.31) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7585606 0.78 ALDH1A1 (0.39) ALDH1A1HDAC8HDAC6HDAC2KMT2A
SCHEMBL18706241 0.78 GAA (0.52) ALDH1A1HDAC8HDAC6HDAC2KMT2A
SCHEMBL8672377 0.78 ALDH1A1 (0.38) ALDH1A1HDAC8HDAC6HDAC2KMT2A
SCHEMBL1180898 0.76 PRNP (0.34) ALDH1A1KMT2AGAANPC1RAB9A
SCHEMBL4287351 0.74 GAA (0.41) ALDH1A1HDAC8HDAC6HDAC2GAA
SCHEMBL7574535 0.74 F10 (0.45) ALDH1A1HDAC8KMT2AGAANPC1
SCHEMBL7578861 0.74 HPGD (0.51) ALDH1A1HDAC8HDAC6HDAC2KMT2A
SCHEMBL7582847 0.70 CREBBP (0.41) HDAC8HDAC6HDAC2KMT2ACREBBP

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
EP-0882730-B1 PHOSPHONIC ACID DIESTER DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2002-10-02 EP disclosed
US-5985858-A TREATING AND PREVENTING HYPERLIPIDEMIA, DIABETES AND CATARACT, OR AS AN ANTITUMOR AGENT OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1999-11-16 US disclosed
EP-0882730-A1 PHOSPHONIC ACID DIESTER DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-12-09 EP disclosed