SCHEMBL9487448

SCHEMBL9487448

CCCCNc1nc(NCc2ccc(-c3ccccc3C(=O)O)cc2)c2ccccc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.64
CTNNB1 P35222 4/20 0.61
TCF7L2 Q9NQB0 4/20 0.61
APP P05067 5/20 0.59
ACHE P22303 5/20 0.59
BCHE P06276 3/20 0.59
LTB4R2 Q9NPC1 1/20 0.55
RAD52 P43351 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51
UBE2N P61088 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RCE1 Q9Y256 1/20 0.51
PPARG P37231 1/20 0.51
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49

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
SCHEMBL9384391 0.87 ACHE (0.53) CASP6CTNNB1TCF7L2APPACHE
SCHEMBL16280667 0.83 CASP6 (0.92) CASP6CTNNB1TCF7L2APPACHE
SCHEMBL9384603 0.81 KMT2A (0.52) APPACHELTB4R2RAD52KDM4E
SCHEMBL9386292 0.80 APP (0.64) APPACHELTB4R2RAD52LMNA
SCHEMBL9385541 0.80 BDKRB1 (0.53) CASP6CTNNB1TCF7L2APPACHE
SCHEMBL9385562 0.79 BDKRB1 (0.51) CTNNB1TCF7L2APPACHEBCHE
SCHEMBL21843263 0.78 ACHE (0.62) CTNNB1TCF7L2APPACHEBCHE
SCHEMBL9709750 0.78 DHODH (0.59) LTB4R2KDM4EPPARG
SCHEMBL9385126 0.78 AGTR2 (0.69) APPKMT2ASIRT5
SCHEMBL9386452 0.77 NR2F2 (0.64) LTB4R2ALDH1A1LMNAKMT2A

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
US-5187168-A Hypotensive agents AMERICAN HOME PRODUCTS CORPORATION (US) 1993-02-16 US claimed