SCHEMBL6963630

SCHEMBL6963630

Cc1c(COC(=O)C2CC2)nc(Nc2ccc(F)cc2)nc1N1CCc2ccccc2C1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
USP2 O75604 1/20 0.34
KCNH3 Q9ULD8 1/20 0.34
THRB P10828 1/20 0.34
CHRM3 P20309 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MARK3 P27448 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TRPC3 Q13507 1/20 0.33
TRPC6 Q9Y210 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CCNT1 O60563 1/20 0.33

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
SCHEMBL6970438 0.97 GAA (0.36) GAASMN1; SMN2NPC1MAPTRAB9A
SCHEMBL6957644 0.96 ALDH1A1 (0.39) GAASMN1; SMN2NPC1MAPTRAB9A
SCHEMBL6967410 0.91 KCNH3 (0.34) GAASMN1; SMN2MAPTKCNH3THRB
SCHEMBL6967711 0.91 TRPC3 (0.37) KCNH3THRBCHRM3HPGDMARK3
SCHEMBL6967941 0.90 TRPC3 (0.34) SMN1; SMN2KCNH3THRBCHRM3HPGD
SCHEMBL6963603 0.89 KCNH3 (0.36) GAASMN1; SMN2NPC1MAPTRAB9A
SCHEMBL6954449 0.88 NOTUM (0.36) GAASMN1; SMN2MAPTUSP2KCNH3
SCHEMBL6958921 0.88 DRD1 (0.36) MAPTKCNH3JAK2JAK1LMNA
SCHEMBL6962206 0.88 MAPT (0.36) SMN1; SMN2NPC1MAPTRAB9ATHRB
SCHEMBL6955983 0.88 EGFR (0.39) KCNH3THRBCHRM3ALDH1A1HPGD

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
EP-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP disclosed
US-6352993-B1 ANTIULCER AGENTS YUHAN CORPORATION (KR) 2002-03-05 US disclosed