SCHEMBL20172204

SCHEMBL20172204

NN1c2ccccc2Oc2ncccc21

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
P2RX4 Q99571 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
SCHEMBL20172297 0.79 SHMT2 (0.39) SHMT2KDM4EALDH1A1TP53MAPT
SCHEMBL20172203 0.79 P2RX4 (0.37) TP53P2RX4
SCHEMBL10586348 0.78 P2RX4 (0.48) MAPTP2RX4
SCHEMBL18613018 0.72 SMN1; SMN2 (0.55) SHMT2TP53MAPTLMNAP2RX4
SCHEMBL20172215 0.71 ADRA2A (0.35) SHMT2KDM4EALDH1A1TP53MAPT
SCHEMBL20172217 0.71 PIM1 (0.38) MAPTP2RX4
SCHEMBL20172267 0.71 P2RX4 (0.37) KDM4EALDH1A1MAPTP2RX4
SCHEMBL5033603 0.71
SCHEMBL11541615 0.70 CA12 (0.38) KDM4EALDH1A1TP53MAPTLMNA
SCHEMBL30317423 0.70 CA12 (0.38) KDM4EALDH1A1TP53MAPTLMNA

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