SCHEMBL20202780

SCHEMBL20202780

Bc1c(C)cc(-c2cc(C)c(N)c3ccccc23)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.40
EP300 Q09472 1/20 0.37
BACE1 P56817 1/20 0.35
CYP1A2 P05177 5/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 1/20 0.34
CYP1A1 P04798 1/20 0.34
ALDH1A1 P00352 4/20 0.33
CYP3A4 P08684 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 2/20 0.32

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
SCHEMBL866443 0.88 CYP1A2 (0.43) PKMEP300BACE1CYP1A2LMNA
SCHEMBL29462977 0.88 CYP1A2 (0.43) PKMEP300BACE1CYP1A2LMNA
SCHEMBL10026540 0.80 CYP1A2 (0.39) PKMEP300BACE1CYP1A2LMNA
SCHEMBL1562090 0.74 CYP1A2 (0.50) PKMEP300BACE1CYP1A2LMNA
SCHEMBL29999289 0.74 CYP1A2 (0.50) PKMEP300BACE1CYP1A2LMNA
SCHEMBL352532 0.73 PKM (0.63) PKMEP300BACE1CYP1A2LMNA
SCHEMBL29405295 0.73 PKM (0.63) PKMEP300BACE1CYP1A2LMNA
SCHEMBL23855443 0.71 KDM4E (0.46) EP300CYP1A2LMNAHTTALDH1A1
Hydrochloric Acid SCHEMBL10719596 0.71 PKM (0.61) PKMEP300BACE1CYP1A2HTT
Hydrochloric Acid SCHEMBL5691548 0.71 PKM (0.61) PKMEP300BACE1CYP1A2HTT

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-20180147546-A1 METHOD FOR PRODUCING GAS SEPARATION COMPOSITE MEMBRANE, LIQUID COMPOSITION, GAS SEPARATION COMPOSITE MEMBRANE, GAS SEPARATION MODULE, GAS SEPARATION APPARATUS, AND GAS SEPARATION METHOD FUJIFILM CORPORATION (JP) 2018-05-31 US disclosed