SCHEMBL20172297

SCHEMBL20172297

SN1c2ccccc2Oc2ncccc21

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 4/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL20172204 0.79 SHMT2 (0.37) SHMT2TP53LMNAMAPTKDM4E
SCHEMBL20308266 0.78 P2RX4 (0.48) MAPT
SCHEMBL18613018 0.72 SMN1; SMN2 (0.55) SHMT2TP53LMNAMAPT
SCHEMBL5033603 0.71
SCHEMBL30317423 0.70 CA12 (0.38) TP53LMNAMAPTKDM4EALDH1A1
SCHEMBL11541615 0.70 CA12 (0.38) TP53LMNAMAPTKDM4EALDH1A1
SCHEMBL21415065 0.69 CDK8 (0.33) SHMT2TP53LMNAMAPTKDM4E
SCHEMBL9102280 0.68 TP53 (0.52) TP53LMNAMAPTKDM4EALDH1A1
SCHEMBL9853429 0.68 NR1H2 (0.47) TP53LMNAMAPTKDM4EALDH1A1
SCHEMBL16330245 0.67 SLC40A1 (0.41) TP53LMNAKDM4EALDH1A1

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-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