SCHEMBL6890772

SCHEMBL6890772

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
CRBN Q96SW2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
NTRK1 P04629 1/20 0.34
NTRK2 Q16620 1/20 0.34
ALDH1A1 P00352 1/20 0.34
UCHL3 P15374 1/20 0.34
PDE10A Q9Y233 3/20 0.34
PPARG P37231 1/20 0.33
POLB P06746 1/20 0.33
PTGER4 P35408 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 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
SCHEMBL27600065 0.89 SMN1; SMN2 (0.42) ESR1ESR2SMN1; SMN2TP53MAPT
SCHEMBL6897495 0.89 ESR1 (0.39) ESR1ESR2SMN1; SMN2TP53MAPT
SCHEMBL3949257 0.86 ESR1 (0.40) ESR1ESR2SMN1; SMN2TP53MAPT
SCHEMBL27600066 0.86 ESR1 (0.37) ESR1ESR2SMN1; SMN2TP53MAPT
SCHEMBL1625434 0.83 PDE10A (0.47) TP53MAPTTAAR1NTRK1NTRK2
SCHEMBL1625492 0.81 TAAR1 (0.41) ESR1ESR2TP53MAPTKMT2A
SCHEMBL1625247 0.81 TAAR1 (0.41) ESR1ESR2TP53MAPTTAAR1
SCHEMBL1625725 0.80 TP53 (0.49) ESR1ESR2SMN1; SMN2TP53MAPT
SCHEMBL1623811 0.80 JAK2 (0.56) TP53MAPTCRBNMEN1KMT2A

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