SCHEMBL16404140

SCHEMBL16404140

Cc1nc(-c2c[nH]c(C(=O)NCCN3CCOCC3)c2)cs1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.52
▸ HTT P42858 1/20 0.51
▸ GAA P10253 2/20 0.50
▸ CYP1A2 P05177 3/20 0.48
▸ MMP12 P39900 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ CYP2C19 P33261 2/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ MMP2 P08253 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ MAPT P10636 1/20 0.46

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
SCHEMBL16404105 0.94 POLB (0.61) POLBHTTGAACYP1A2ALDH1A1
SCHEMBL14318287 0.90 ATP4A (0.46) POLBALDH1A1KDM4EHSD17B10
SCHEMBL14318364 0.85 LMNA (0.46) POLBHTTALDH1A1KDM4EMAPT
SCHEMBL14318295 0.83 ALDH1A1 (0.47) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL16404110 0.81 ALDH1A1 (0.62) POLBHTTGAAALDH1A1KDM4E
SCHEMBL14318350 0.79 ATP4A (0.42) ALDH1A1KDM4E
SCHEMBL14318365 0.79 KDM4E (0.46) HTTGAAALDH1A1KDM4EHSD17B10
SCHEMBL16404066 0.79 ALDH1A1 (0.48) POLBHTTGAAALDH1A1KDM4E
SCHEMBL14684725 0.79 ALDH1A1 (0.54) POLBGAAALDH1A1KDM4EMAPT
SCHEMBL14318382 0.78 RAB9A (0.49) POLBGAAALDH1A1KDM4EMAPT

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
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 — — US disclosed
Send feedback