SCHEMBL25256739

SCHEMBL25256739

O=C(Cc1ccccc1)N1CCC(C(O)c2cccnc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
C3AR1 Q16581 6/20 0.51
IDO1 P14902 3/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2B6 P20813 1/20 0.50

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
SCHEMBL25586562 0.85 KMT2A (0.50) KMT2ACYP3A4CYP2D6
SCHEMBL25586564 0.82 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL25273950 0.81 KDM4E (0.56) KDM4ECYP3A4CYP2D6
SCHEMBL25260542 0.79 FAAH (0.44) C3AR1
SCHEMBL25253155 0.79 HTR2A (0.76) KDM4ECYP3A4CYP2D6
SCHEMBL2603255 0.78 FNTA (0.55) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL25586018 0.76 IDO1 (0.50) KDM4EMEN1KMT2AIDO1CYP3A4
SCHEMBL18228169 0.76 EPHX2 (0.55) C3AR1
SCHEMBL9853114 0.75
SCHEMBL8795521 0.75 SMN1; SMN2 (0.53) L3MBTL1IDO1CYP3A4CYP2D6

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
WO-2023107547-A2 AZETIDINE AND SPIROAZETIDINE COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed
WO-2023107547-A2 AZETIDINE AND SPIROAZETIDINE COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed