SCHEMBL28676159

SCHEMBL28676159

CN1CCN(C2CCN(c3ccc(N[CH]C(C)(C)O)c(N)c3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
VCP P55072 1/20 0.40
ALK Q9UM73 13/20 0.39
INSR P06213 10/20 0.39
IGF1R P08069 10/20 0.39
PTK2B Q14289 2/20 0.38
EML4 Q9HC35 2/20 0.38
PTK2 Q05397 2/20 0.38
BMPR1B O00238 1/20 0.38
PLK4 O00444 1/20 0.38
GAK O14976 1/20 0.38
ERN1 O75460 1/20 0.38
STK10 O94804 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
NPM1 P06748 1/20 0.38
FES P07332 1/20 0.38
YES1 P07947 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
SCHEMBL24172536 0.83 ALDH1A1 (0.41) ALDH1A1VCPALKINSRIGF1R
SCHEMBL28694637 0.83 MAPT (0.46) ALDH1A1ALKMAPTMAPK1SIRT6
SCHEMBL29745199 0.77 MAPT (0.54) ALDH1A1VCPALKINSRIGF1R
SCHEMBL23122819 0.77 MAPT (0.54) ALDH1A1VCPALKINSRIGF1R
SCHEMBL24171299 0.77 ALDH1A1 (0.41) ALDH1A1VCPALKINSRIGF1R
SCHEMBL30311907 0.77 ALDH1A1 (0.41) ALDH1A1VCPALKINSRIGF1R
SCHEMBL13395231 0.75 GAA (0.51) ALDH1A1VCPALKINSRIGF1R
SCHEMBL24073828 0.72 ALK (0.48) ALDH1A1VCPALKINSRIGF1R
SCHEMBL19313036 0.72 ALDH1A1 (0.44) ALDH1A1VCPALKINSRIGF1R
SCHEMBL21600862 0.72 HDAC2 (0.42) ALDH1A1ALKINSRIGF1RPTK2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115867542-A Novel benzimidazole compounds 微境生物医药科技(上海)有限公司 2023-03-28 CN disclosed
CN-113880804-A Novel benzimidazole compounds 微境生物医药科技(上海)有限公司 2022-01-04 CN disclosed