SCHEMBL9575339

SCHEMBL9575339

O=C=C1CC=CN=C1c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.39
LMNA P02545 3/20 0.39
CCR1 P32246 3/20 0.39
CCR5 P51681 3/20 0.39
CCR8 P51685 3/20 0.39
P4HTM Q9NXG6 2/20 0.39
CYP1A2 P05177 2/20 0.39
POLB P06746 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39
NPC1 O15118 6/20 0.35
TP53 P04637 5/20 0.35
RAB9A P51151 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
ALOX15 P16050 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
HTT P42858 2/20 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
SCHEMBL28807951 0.98 KDM4E (0.38) KDM4ELMNACCR1CCR5CCR8
SCHEMBL27842578 0.84 KDM4E (0.39) KDM4ELMNACCR1CCR5CCR8
SCHEMBL3751912 0.79 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29809937 0.79 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29985874 0.78 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30362597 0.76 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL812421 0.76 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4916622 0.76 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL25222671 0.74 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
Hydrochloric Acid SCHEMBL29188241 0.74 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8

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-0438761-B1 A METHOD FOR PREPARING A WATER-GAS AND HYDROFORMULATING CATALYST NESTE OY (FI) 1993-09-01 EP disclosed
US-5126304-A METHOD FOR THE PREPARATION OF A CATALYST FOR WATER GAS AND HYDROFORMYLATION, CATALYST PREPARED BY THE METHOD AND USE OF THE CATALYST NESTE OY (FI) 1992-06-30 US disclosed
EP-0438761-A1 A method for preparing a water-gas and hydroformulating catalyst NESTE OY (FI) 1991-07-31 EP disclosed