SCHEMBL20718600

SCHEMBL20718600

C[n+]1c(/C=C/c2ccc(-c3ccc(Cl)cc3)o2)sc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.52
▸ ADRB1 P08588 1/20 0.52
▸ INSR P06213 2/20 0.44
▸ SNCA P37840 1/20 0.40
▸ MAPT P10636 7/20 0.39
▸ HTT P42858 4/20 0.39
▸ POLB P06746 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ MC4R P32245 1/20 0.39
▸ PPP1CA P62136 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ RAB9A P51151 3/20 0.37

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
SCHEMBL20718568 0.88 ADRB2 (0.46) ADRB2ADRB1INSRSNCAMAPT
SCHEMBL20718569 0.87 INSR (0.49) ADRB2ADRB1INSRMAPTHTT
SCHEMBL20718564 0.84 ADRB2 (0.51) ADRB2ADRB1INSRSNCAMAPT
SCHEMBL20718562 0.78 ADRB2 (0.46) ADRB2ADRB1INSRSNCAMAPT
SCHEMBL20718563 0.78 KDM4E (0.52) ADRB2ADRB1INSRMAPTHTT
SCHEMBL20718002 0.76 MAPT (0.58) ADRB2ADRB1INSRSNCAMAPT
SCHEMBL20718565 0.75 INSR (0.49) INSRMAPTHTTPOLBALDH1A1
SCHEMBL20718359 0.72 INSR (0.46) ADRB2ADRB1INSRMAPTHTT
SCHEMBL20718456 0.72 KMT2A (0.47) INSRSNCAMAPTHTTPOLB
SCHEMBL16800095 0.67 ADRB2 (0.61) ADRB2ADRB1INSRSNCAMAPT

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
WO-2019025595-A1 SELECTIVE LIGANDS FOR TAU AGGREGATES KARIN & STEN MORTSTEDT CBD SOLUTIONS AB (SE) 2019-02-07 — — WO disclosed
Send feedback