SCHEMBL2853785

SCHEMBL2853785

Cc1ccc(N)cc1.Cc1ccnc(N)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 5/20 0.79
NOS2 P35228 5/20 0.79
NOS1 P29475 3/20 0.79
KDM4E B2RXH2 2/20 0.79
MEN1 O00255 1/20 0.79
KMT2A Q03164 1/20 0.79
ACHE P22303 1/20 0.54
UHRF1 Q96T88 1/20 0.46
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
TEAD4 Q15561 1/20 0.43
MAPT P10636 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
PLAU P00749 1/20 0.40
NCK1 P16333 1/20 0.38
BACE1 P56817 1/20 0.38
GABRP O00591 1/20 0.38

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
SCHEMBL29406785 0.89
SCHEMBL25153 0.89
Bromide SCHEMBL5756007 0.87
Hydrochloric Acid SCHEMBL1768191 0.87
Hydrochloric Acid SCHEMBL30751932 0.87
Dalfampridine SCHEMBL9491048 0.86 NOS3 (0.76) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL10379326 0.81 NOS3 (0.83) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL8591456 0.81 NOS3 (0.83) NOS3NOS2NOS1KDM4EMEN1
Pyridine SCHEMBL5164941 0.78 NOS2 (0.76) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL5544744 0.75 DYRK1A (0.65) NOS3NOS2NOS1KDM4EMEN1

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-2142503-A2 PROCESS FOR THE MANUFACTURE FOR NON-STEROIDAL ANTI-INFLAMMATORY AGENTS AND INTERMEDIATES THEREOF Intendis GmbH (DE) 2010-01-13 EP disclosed
WO-2008128750-A2 PROCESS FOR THE MANUFACTURE FOR NON-STEROIDAL ANTI-INFLAMMATORY AGENTS AND INTERMEDIATES THEREOF INTENDIS GMBH (DE) 2008-10-30 WO disclosed