SCHEMBL17187807

SCHEMBL17187807

COc1cccc2c(C(C)N)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
EP300 Q09472 1/20 0.44
KAT8 Q9H7Z6 1/20 0.44
HTR2C P28335 1/20 0.44
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
PNMT P11086 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
PLAU P00749 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL11275566 0.89 IDO1 (0.55) IDO1EP300KAT8CYP2D6CA1
Hydrochloric Acid SCHEMBL31733399 0.87 EP300 (0.56) IDO1EP300KAT8CYP2D6CA1
SCHEMBL334379 0.81 CA1 (0.55) IDO1CYP2D6CYP1A2CYP3A4NFKB1
SCHEMBL21377269 0.81 CA1 (0.55) IDO1CYP2D6CYP1A2CYP3A4NFKB1
SCHEMBL25971643 0.81 CYP1A2 (0.48) HTR2CCYP2D6CYP1A2CYP3A4NFKB1
SCHEMBL334556 0.81 CA1 (0.55) IDO1CYP2D6CYP1A2CYP3A4NFKB1
SCHEMBL29471011 0.81 CA1 (0.55) IDO1CYP2D6CYP1A2CYP3A4NFKB1
SCHEMBL29705638 0.81 CA1 (0.55) IDO1CYP2D6CYP1A2CYP3A4NFKB1
SCHEMBL1257092 0.81 CA1 (0.55) IDO1CYP2D6CYP1A2CYP3A4NFKB1
SCHEMBL9244013 0.81 IDO1 (0.41) IDO1EP300KAT8HTR2CPNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3134392-A1 SULFONAMIDE DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2017-03-01 EP disclosed
WO-2015158313-A1 SULFONAMIDE DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-10-22 WO disclosed