SCHEMBL24969707

SCHEMBL24969707

C=C(CC(C)(C)C)N1CCN(c2ncc(/C(N)=N/C)cc2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 15/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CXCR3 P49682 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 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
SCHEMBL24970110 0.82 KMT2A (0.43) P2RY12SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL24971005 0.80 MEN1 (0.46) P2RY12SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL24970904 0.78 MEN1 (0.45) P2RY12SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL24971021 0.76 KMT2A (0.41) P2RY12SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL24971003 0.72 MEN1 (0.40) P2RY12SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL24969705 0.71 MEN1 (0.47) P2RY12SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL30903378 0.71 MEN1 (0.47) P2RY12SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL2419414 0.68 MEN1 (0.52) P2RY12SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL24970949 0.68 TRPV1 (0.40)
SCHEMBL10268275 0.67 MAPT (0.53) P2RY12SMN1; SMN2LMNAMEN1KMT2A

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-2023002011-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2023-01-26 WO disclosed