SCHEMBL29150280

SCHEMBL29150280

Cc1ncc(Br)c(C)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
KMT2A Q03164 2/20 0.46
PDE10A Q9Y233 1/20 0.37
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
HCAR2 Q8TDS4 2/20 0.34
PKM P14618 1/20 0.34
GPR35 Q9HC97 2/20 0.34
HPGD P15428 1/20 0.33
PRNP P04156 1/20 0.33
PPARG P37231 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NAPRT Q6XQN6 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CNR1 P21554 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
SCHEMBL23147036 0.82 KDM4E (0.44) KDM4EKMT2AALDH1A1HTTHCAR2
SCHEMBL3448876 0.82 KDM4E (0.37) KDM4EKMT2APDE10AALDH1A1HTT
SCHEMBL29065888 0.82 KDM4E (0.37) KDM4EKMT2APDE10AALDH1A1HTT
SCHEMBL3300495 0.81 KDM4E (0.43) KDM4EKMT2APDE10AALDH1A1HTT
SCHEMBL3450931 0.81 ALDH1A1 (0.42) KDM4EKMT2APDE10AALDH1A1HCAR2
SCHEMBL31459178 0.81 ALDH1A1 (0.42) KDM4EKMT2APDE10AALDH1A1HCAR2
Bromide SCHEMBL11550756 0.79 KDM4E (0.42) KDM4EKMT2APDE10AALDH1A1HTT
SCHEMBL21393836 0.78 KDM4E (0.44) KDM4EKMT2APDE10AALDH1A1HTT
SCHEMBL31394019 0.78 KDM4E (0.44) KDM4EKMT2APDE10AALDH1A1HTT
SCHEMBL19870692 0.78 KDM4E (0.41) KDM4EKMT2APDE10AALDH1A1HTT

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
CN-117460723-A Pharmaceutical compounds 杜克街生物有限公司 2024-01-26 CN disclosed