SCHEMBL20172232

SCHEMBL20172232

Sc1cccc2c1oc1cnccc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.38
TDO2 P48775 10/20 0.37
ROCK2 O75116 5/20 0.36
BRAF P15056 1/20 0.34
EIF2AK3 Q9NZJ5 1/20 0.34
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL24589785 0.81 ALOX5 (0.44) IDO1TDO2ROCK2BRAFEIF2AK3
SCHEMBL13509565 0.79 TDO2 (0.40) IDO1TDO2BRAFEIF2AK3CYP1A2
SCHEMBL22138628 0.79 ROCK2 (0.38) IDO1TDO2ROCK2BRAFEIF2AK3
SCHEMBL24057649 0.79 AHR (0.47) IDO1TDO2ROCK2BRAFEIF2AK3
SCHEMBL17490044 0.79 LMNA (0.49) IDO1TDO2LMNACYP1A2CYP3A4
SCHEMBL31591695 0.79 IDO1 (0.39) IDO1TDO2ROCK2BRAFEIF2AK3
SCHEMBL21237915 0.79 IDO1 (0.42) IDO1TDO2ROCK2BRAFEIF2AK3
SCHEMBL9349902 0.77 ALOX5 (0.46) LMNACYP3A4CYP2C19
SCHEMBL20308264 0.77 TDO2 (0.40) IDO1TDO2ROCK2LMNACYP1A2
SCHEMBL24590051 0.77 ALOX5 (0.47) IDO1TDO2ROCK2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3339395-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2019-10-02 EP disclosed
EP-3339395-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2018-06-27 EP disclosed
EP-2980182-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2018-05-23 EP disclosed