SCHEMBL6897495

SCHEMBL6897495

CCc1nc2cc(C(C)O)ccc2n1-c1ccc(CCCl)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
PPARG P37231 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CRBN Q96SW2 1/20 0.35
NTRK1 P04629 1/20 0.34
NTRK2 Q16620 1/20 0.34
UCHL3 P15374 1/20 0.34
PDE10A Q9Y233 3/20 0.34
POLB P06746 1/20 0.33
PTGER4 P35408 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
SCHEMBL6893522 0.90 ESR1 (0.40) ESR1ESR2SMN1; SMN2TP53MAPT
SCHEMBL27582753 0.89 SMN1; SMN2 (0.42) ESR1ESR2SMN1; SMN2TP53MAPT
SCHEMBL6890772 0.89 ESR1 (0.39) ESR1ESR2SMN1; SMN2TP53MAPT
SCHEMBL3949257 0.86 ESR1 (0.40) ESR1ESR2SMN1; SMN2TP53MAPT
SCHEMBL27582754 0.86 ESR1 (0.37) ESR1ESR2SMN1; SMN2TP53MAPT
SCHEMBL1625907 0.81 AGTR1 (0.43) ESR1ESR2TP53MAPTNTRK1
SCHEMBL1625133 0.80 TP53 (0.49) ESR1ESR2SMN1; SMN2TP53MAPT
SCHEMBL1624258 0.79 TDP1 (0.46) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL27600093 0.79 SMN1; SMN2 (0.42) ESR1ESR2SMN1; SMN2TP53MAPT
SCHEMBL1625941 0.79 KMT2A (0.49) SMN1; SMN2TP53MAPTPPARGMEN1

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-6710054-B2 CONTAINING SULFONYLAMINOCARBONYL GROUPS; PROSTAGLANDIN INHIBITORS PFIZER INC 2004-03-23 US disclosed