SCHEMBL31078705

SCHEMBL31078705

CN1CCN(c2ccc(F)nc2C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 1/20 0.41
XDH P47989 1/20 0.40
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
DRD1 P21728 1/20 0.40
HTR2A P28223 1/20 0.40
TP53 P04637 1/20 0.40
CHEK1 O14757 2/20 0.39
ATAD2 Q6PL18 1/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 2/20 0.38

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
SCHEMBL16040183 0.83 HTR3A (0.45) KDM4EALDH1A1HSD17B10XDHDRD2
SCHEMBL31078751 0.73 HSD17B14 (0.49) KDM4EALDH1A1LMNATP53
SCHEMBL2430511 0.71 KDM4E (0.56) KDM4EALDH1A1L3MBTL1HSD17B10NPC1
SCHEMBL16040909 0.70 KDM4E (0.43) KDM4EALDH1A1L3MBTL1HSD17B10NPC1
Hydrochloric Acid SCHEMBL4284877 0.70 KDM4E (0.54) KDM4EALDH1A1L3MBTL1HSD17B10NPC1
SCHEMBL20854390 0.70 KDM4E (0.49) KDM4EALDH1A1MEN1KMT2A
SCHEMBL2800959 0.69 PRKAB2 (0.39) KDM4EALDH1A1HSD17B10XDHDRD2
Hydrochloric Acid SCHEMBL31608762 0.68 USP28 (0.37) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL16631725 0.68 CTSA (0.40) KDM4EALDH1A1L3MBTL1HSD17B10SMN1; SMN2
SCHEMBL14857791 0.68 ALDH1A1 (0.39) KDM4EALDH1A1L3MBTL1HSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4665733-A1 AMINO-SUBSTITUTED PYRROLOTRIAZINE DERIVATIVES AS INHIBITORS OF SGK1 Bristol-Myers Squibb Company (US) 2025-12-24 EP disclosed
WO-2024173323-A1 AMINO-SUBSTITUTED PYRROLOTRIAZINE DERIVATIVES AS INHIBITORS OF SGK1 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-22 WO disclosed