SCHEMBL5353744

SCHEMBL5353744

C=C(C)C(=O)n1ccnc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.47
PLAA Q9Y263 1/20 0.39
NR1H2 P55055 3/20 0.39
NR1H3 Q13133 3/20 0.39
CYP1A2 P05177 1/20 0.39
ALPG P10696 1/20 0.39
HDAC4 P56524 1/20 0.38
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
MAP4K4 O95819 1/20 0.35
ABL1 P00519 1/20 0.35
NTRK1 P04629 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
FGFR1 P11362 1/20 0.35
PRKACA P17612 1/20 0.35

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
SCHEMBL11078694 0.80 ESR1 (0.54) ESR1PLAANR1H2NR1H3CYP1A2
SCHEMBL28848047 0.80 ESR1 (0.54) ESR1PLAANR1H2NR1H3CYP1A2
SCHEMBL5691412 0.78 FDPS (0.34) PLAAALPGALDH1A1CYP3A4
SCHEMBL10668273 0.77 ESR1 (0.51) ESR1PLAAALPGHDAC4LMNA
SCHEMBL28035198 0.76 ESR1 (0.51) ESR1PLAAALPGHDAC4HSD17B10
SCHEMBL786798 0.76 ESR1 (0.50) ESR1PLAANR1H2NR1H3ALPG
SCHEMBL15996573 0.74 ESR1 (0.39) ESR1PLAAALPGHDAC4HPGD
SCHEMBL5535728 0.74 ESR1 (0.49) ESR1PLAAALPGHDAC4KDR
SCHEMBL27457819 0.74 ESR1 (0.49) ESR1PLAANR1H2NR1H3CYP1A2
SCHEMBL22571229 0.74 ESR1 (0.39) ESR1PLAANR1H2NR1H3ALPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202016-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2007-04-10 US disclosed
US-20050214680-A1 Radiation-sensitive resin composition MIYAJI MASAAKI 2005-09-29 US disclosed
US-6933094-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2005-08-23 US disclosed
US-20020058201-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2002-05-16 US disclosed
EP-1193558-A2 Radiation-sensitive resin composition JSR Corporation (JP) 2002-04-03 EP disclosed