SCHEMBL28866124

SCHEMBL28866124

Cn1cc2c(NC=O)cccc2n1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.38
SYK P43405 9/20 0.37
CREBBP Q92793 2/20 0.36
BRD4 O60885 1/20 0.36
POLB P06746 2/20 0.34
JAK2 O60674 1/20 0.33
LYN P07948 1/20 0.33
ZAP70 P43403 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
FYN P06241 1/20 0.32

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
SCHEMBL19440644 0.80 SYK (0.37) PABPC1SYKCREBBPBRD4POLB
SCHEMBL21494778 0.75 MEN1 (0.40) SYKCREBBPBRD4POLBMAPT
SCHEMBL544070 0.75 MEN1 (0.41) PABPC1CREBBPBRD4POLBALDH1A1
SCHEMBL10933576 0.72 CA12 (0.49) SYKALDH1A1TSHR
SCHEMBL27467128 0.72 ADORA2A (0.37) POLBTSHRFYN
SCHEMBL15808420 0.71 IMPDH2 (0.40) CREBBPBRD4ALDH1A1MAPTTSHR
SCHEMBL29506423 0.70 PABPC1 (0.59) PABPC1POLBALDH1A1MAPTTSHR
SCHEMBL15453221 0.70 PABPC1 (0.59) PABPC1POLBALDH1A1MAPTTSHR
SCHEMBL16775248 0.70 CREBBP (0.38) CREBBPBRD4POLBALDH1A1MAPT
SCHEMBL7946910 0.70 CYP2A6 (0.42) CREBBPBRD4POLBALDH1A1MAPT

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
CN-108699038-A Loop coil heptane salicylamide and related compound as Rock inhibitor 百时美施贵宝公司 2018-10-23 CN disclosed