SCHEMBL5811096

SCHEMBL5811096

O=C(O)c1ccc(C=C(CNc2cnc3ccc(CN4CCCC4)cc3c2)COc2cccc3ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.50
FAAH O00519 5/20 0.43
POLB P06746 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
BLM P54132 1/20 0.42
DAPK1 P53355 1/20 0.40
PIM3 Q86V86 1/20 0.40
TRPV1 Q8NER1 2/20 0.39
MCHR1 Q99705 2/20 0.39
HTR2C P28335 1/20 0.39
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL5812325 1.00 P2RX3 (0.50) P2RX3FAAHPOLBSMN1; SMN2MAPT
SCHEMBL5808165 0.93 P2RX3 (0.58) P2RX3POLBSMN1; SMN2MAPTTRPV1
SCHEMBL5808159 0.93 P2RX3 (0.58) P2RX3POLBSMN1; SMN2MAPTTRPV1
SCHEMBL5812294 0.93 P2RX3 (0.47) P2RX3FAAHPOLBSMN1; SMN2MAPT
SCHEMBL5812289 0.93 P2RX3 (0.47) P2RX3FAAHPOLBSMN1; SMN2MAPT
SCHEMBL5796315 0.87 P2RX3 (0.56) P2RX3FAAHHDAC6
SCHEMBL5796309 0.87 P2RX3 (0.56) P2RX3FAAHHDAC6
SCHEMBL5799282 0.81 HDAC3 (0.46) FAAHTRPV1MCHR1HTR2CHDAC6
SCHEMBL5799283 0.81 HDAC3 (0.46) FAAHTRPV1MCHR1HTR2CHDAC6
SCHEMBL5806985 0.79 P2RX3 (0.49) P2RX3POLBSMN1; SMN2MAPTMEN1

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-3245557-A1 ELECTROCHROMIC MULTI-LAYER DEVICES WITH CHARGE SEQUESTRATION AND RELATED METHODS Kinestral Technologies, Inc. (US) 2017-11-22 EP disclosed
WO-2006036881-A2 RESORCINOL CARBONATE-BASED PHOSPHATE ESTER COMPOUNDS AS FLAME RETARDANTS INDSPEC CHEMICAL CORPORATION (US) 2006-04-06 WO disclosed
WO-2006025683-A1 ARYLAMINOMETHYL PROPENYL BENZHYDROXYAMID DERIVATIVES WITH INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-09 WO disclosed