SCHEMBL7215632

SCHEMBL7215632

Clc1ccc(CNc2nc(-c3ccc4ccccc4c3)c[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.42
ACP1 P24666 1/20 0.42
LMNA P02545 1/20 0.42
DYRK1A Q13627 3/20 0.41
CLK4 Q9HAZ1 3/20 0.41
DYRK1B Q9Y463 2/20 0.41
FABP4 P15090 2/20 0.41
XDH P47989 1/20 0.40
KDR P35968 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CLK1 P49759 2/20 0.39
CLK2 P49760 1/20 0.39
TYMS P04818 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL7222114 0.87 CLK1 (0.49) LMNAXDHKDM4EMEN1ALDH1A1
SCHEMBL26109800 0.77 NR1H2 (0.45) NPY5RLMNAKDRKDM4EMEN1
SCHEMBL7222409 0.77 APP (0.39) ACP1LMNAFABP4KMT2AHSD17B10
SCHEMBL7222413 0.74 SMN1; SMN2 (0.49) ACP1LMNADYRK1ACLK4DYRK1B
SCHEMBL26110431 0.74 PTGDR2 (0.44) NPY5RKDRMEN1HTTKMT2A
SCHEMBL31305471 0.69 CYP11B1 (0.40) LMNAKDRKDM4EMEN1ALDH1A1
SCHEMBL3359422 0.69 CYP11B1 (0.40) LMNAKDRKDM4EMEN1ALDH1A1
SCHEMBL27527525 0.68 FFAR1 (0.60) MEN1ALDH1A1KMT2AHSD17B10
SCHEMBL5703579 0.68 MC5R (0.59) MEN1ALDH1A1MAPK1HTTKMT2A
SCHEMBL7232377 0.68 NPC1 (0.58) LMNADYRK1ACLK4KDM4EMEN1

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-6596739-B2 Anticarcinogenic agents, cardiovascular disorders and antiinflammatory agents THE PROCTER & GAMBLE COMPANY 2003-07-22 US claimed