SCHEMBL23697635

SCHEMBL23697635

COc1ccc(C2=NN(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)C(=O)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
MMP2 P08253 1/20 0.52
MMP13 P45452 1/20 0.52
ADAM17 P78536 1/20 0.52
ADAMTS5 Q9UNA0 1/20 0.52
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
TSHR P16473 1/20 0.48

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
SCHEMBL23697626 0.90 LMNA (0.59) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL23697631 0.86 KDM4E (0.54) MAPTADAM17ADAMTS5ALDH1A1MEN1
SCHEMBL23697627 0.84 MAPK1 (0.60) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL23697634 0.81 SMN1; SMN2 (0.61) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL23697636 0.81 HSD17B10 (0.60) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL23697633 0.78 MAPT (0.55) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL23495318 0.77 TP53 (0.69) MAPTMMP2MMP13ADAM17ADAMTS5
SCHEMBL17504107 0.73 MEN1 (0.55) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL19851997 0.73 DRD2 (0.50) ALDH1A1MEN1KMT2A
SCHEMBL17504163 0.72 MAPT (0.49) MAPTALDH1A1MEN1KMT2ALMNA

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-2021149767-A1 HETEROCYCLIC DERIVATIVE 大日本住友製薬株式会社 2021-07-29 WO disclosed