SCHEMBL20124613

SCHEMBL20124613

C=C(OCc1ccccc1)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
L3MBTL1 Q9Y468 5/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 3/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL2706447 0.81 PKM (0.71) PKML3MBTL1LMNANPSR1NAPRT
SCHEMBL30711263 0.81 PKM (0.71) PKML3MBTL1LMNANPSR1NAPRT
Hydrochloric Acid SCHEMBL28329265 0.79 PKM (0.69) PKML3MBTL1LMNANPSR1NAPRT
SCHEMBL1551668 0.79 PKM (0.69) PKML3MBTL1LMNANPSR1NAPRT
SCHEMBL15009197 0.78 CES2 (0.56) PKML3MBTL1LMNANPSR1NAPRT
SCHEMBL29809810 0.78 ALDH1A1 (0.47) PKML3MBTL1LMNANAPRTP4HTM
SCHEMBL4380607 0.78 ALDH1A1 (0.47) PKML3MBTL1LMNANAPRTP4HTM
SCHEMBL13389842 0.77 KMT2A (0.40) PKMLMNANPSR1POLBSMN1; SMN2
SCHEMBL30609674 0.76 PKM (0.53) PKML3MBTL1LMNANPSR1NAPRT
SCHEMBL12074963 0.75 CES2 (0.42) L3MBTL1LMNANAPRTP4HTMKDM4E

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-3318617-B1 DEPOSITABLE ION ORGANIC FUNCTION MATERIAL AND USE THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE KUNSHAN GOVISIONOX OPTOELECTRONICS CO LTD (CN) 2019-08-14 EP disclosed
EP-3318617-A1 DEPOSITABLE ION ORGANIC FUNCTION MATERIAL AND USE THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE Kunshan Go-Visionox Opto-Electronics Co., Ltd. (CN) 2018-05-09 EP disclosed