SCHEMBL5306512

SCHEMBL5306512

O=C(O)c1cnc2c(c1)CCCN2

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NNMT P40261 5/20 0.75
KDM4E B2RXH2 2/20 0.54
MAPT P10636 1/20 0.54
ALDH1A1 P00352 2/20 0.42
CRBN Q96SW2 3/20 0.40
GRM5 P41594 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.39
MGAM O43451 1/20 0.36
ASIC3 Q9UHC3 1/20 0.35
OGA O60502 1/20 0.35
P4HA1 P13674 2/20 0.34
P4HTM Q9NXG6 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL21782980 0.95 NNMT (0.68) NNMTKDM4EMAPTALDH1A1CRBN
SCHEMBL1680658 0.90 NNMT (0.73) NNMTKDM4EMAPTALDH1A1CRBN
SCHEMBL25787747 0.86 NNMT (1.00) NNMTKDM4EMAPTCRBNGRM5
SCHEMBL30968499 0.82 NNMT (0.68) NNMTKDM4EMAPTALDH1A1PIK3C3
SCHEMBL20722588 0.82 NNMT (0.68) NNMTKDM4EMAPTALDH1A1PIK3C3
SCHEMBL22225983 0.80 NNMT (0.50) NNMTKDM4EMAPTALDH1A1CRBN
SCHEMBL22226400 0.80 NNMT (0.64) NNMTKDM4EALDH1A1CRBNGRM5
SCHEMBL22226923 0.79 NNMT (0.63) NNMTKDM4EALDH1A1MEN1KMT2A
SCHEMBL21772832 0.78 NNMT (0.62) NNMTKDM4EMAPTALDH1A1CRBN
SCHEMBL21201865 0.77 NNMT (0.47) NNMTKDM4EMAPTALDH1A1GRM5

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-3922247-A1 15-PGDH INHIBITOR Kyorin Pharmaceutical Co., Ltd. (JP) 2021-12-15 EP disclosed
WO-2020145250-A1 15-PGDH INHIBITOR 杏林製薬株式会社 2020-07-16 WO disclosed
EP-1833831-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-19 EP disclosed
WO-2006069258-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2006-06-29 WO disclosed