SCHEMBL23901548

SCHEMBL23901548

Cc1ccc(N2CCC(CN)CC2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
ALDH1A1 P00352 1/20 0.48
GFER P55789 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
BPTF Q12830 1/20 0.44
CXCR4 P61073 1/20 0.44
SUV39H2 Q9H5I1 2/20 0.43
PKM P14618 1/20 0.43
TP53 P04637 1/20 0.43
DPP4 P27487 1/20 0.42
ATM Q13315 1/20 0.41
ALOX12 P18054 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
PTPN11 Q06124 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL4167390 0.87 MAPT (0.56) MAPTALDH1A1SMN1; SMN2L3MBTL1MEN1
Hydrochloric Acid SCHEMBL4185133 0.86 MAPT (0.54) MAPTALDH1A1SMN1; SMN2L3MBTL1MEN1
SCHEMBL25453962 0.82 BPTF (0.41) MAPTSMN1; SMN2L3MBTL1LMNABPTF
SCHEMBL23901733 0.82 MAPT (0.51) MAPTALDH1A1GFERSMN1; SMN2L3MBTL1
SCHEMBL21396910 0.80 BPTF (0.50) MAPTSMN1; SMN2L3MBTL1LMNABPTF
SCHEMBL12505446 0.78 HTR3E (0.48) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL13182959 0.78 ADRB1 (0.48) MAPTL3MBTL1MEN1KMT2ABPTF
SCHEMBL27606543 0.77 ADRB1 (0.54) MAPTALDH1A1SMN1; SMN2BPTFMAPK1
SCHEMBL8264511 0.76 MAPT (0.68) MAPTALDH1A1GFERSMN1; SMN2L3MBTL1
SCHEMBL7410614 0.75 ALDH1A1 (0.62) MAPTALDH1A1GFERSMN1; SMN2L3MBTL1

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-2021202600-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ THE SCRIPPS RESEARCH INSTITUTE (US) 2021-10-07 WO disclosed