SCHEMBL21389415

SCHEMBL21389415

CCCN1C(=O)C2C=CC1C2

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
CYP19A1 P11511 1/20 0.30
KDM4E B2RXH2 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL8520114 0.88 GBA1 (0.39) SMN1; SMN2MEN1KMT2AALDH1A1CYP19A1
SCHEMBL21389463 0.81 ALDH1A1 (0.31) MEN1KMT2AALDH1A1RAB9A
SCHEMBL21389465 0.81 ALDH1A1 (0.31) MEN1KMT2AALDH1A1RAB9A
SCHEMBL24796036 0.81 ALDH1A1 (0.31) MEN1KMT2AALDH1A1RAB9A
SCHEMBL21389325 0.81 USP2 (0.38) MEN1KMT2AALDH1A1RAB9A
SCHEMBL5692758 0.77 USP2 (0.33) SMN1; SMN2ALDH1A1
SCHEMBL24796420 0.76 KDM4E (0.32) ALDH1A1KDM4E
SCHEMBL21389322 0.76 KDM4E (0.32) ALDH1A1KDM4E
SCHEMBL21389504 0.76 KDM4E (0.32) ALDH1A1KDM4E
SCHEMBL14629445 0.74

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-2019183577-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS CARMOT THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed