SCHEMBL23601689

SCHEMBL23601689

Cc1ccc(N2CCN(C(=O)CO)CC2)nc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMO Q99835 4/20 0.57
PANK3 Q9H999 1/20 0.54
PARP1 P09874 1/20 0.53
KDM4E B2RXH2 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ME2 P23368 7/20 0.50
ME1 P48163 7/20 0.50
ME3 Q16798 7/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
HPGD P15428 1/20 0.48
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL26502460 0.86 PARP1 (0.59) SMOPANK3PARP1KDM4ESMN1; SMN2
SCHEMBL23972265 0.85 ME2 (0.57) SMOPANK3PARP1KDM4ESMN1; SMN2
SCHEMBL27723056 0.84 PANK3 (0.59) PANK3PARP1KDM4ESMN1; SMN2MEN1
SCHEMBL5237033 0.83 PANK3 (0.57) PANK3PARP1KDM4ESMN1; SMN2ME2
SCHEMBL1630859 0.83 L3MBTL1 (0.58) SMOPANK3PARP1KDM4ESMN1; SMN2
SCHEMBL23972257 0.82 ME2 (0.75) PANK3PARP1KDM4ESMN1; SMN2ME2
SCHEMBL26296502 0.82 PARP1 (0.53) SMOPANK3PARP1KDM4ESMN1; SMN2
SCHEMBL14269363 0.82 PANK3 (0.56) PANK3PARP1KDM4ESMN1; SMN2MEN1
SCHEMBL23600944 0.82 PANK3 (0.58) SMOPANK3ME2ME1ME3
SCHEMBL8291757 0.81 SMN1; SMN2 (0.70) SMOPANK3KDM4ESMN1; SMN2MEN1

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
WO-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed