SCHEMBL2859853

SCHEMBL2859853

CN(C(=O)c1cnn(C)c1Cl)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LIPE Q05469 1/20 0.39
ALOX5AP P20292 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLQ O75417 1/20 0.38
PRMT5 O14744 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 2/20 0.37
TSHR P16473 2/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 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
SCHEMBL2858186 0.73 KMT2A (0.48) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL6316045 0.71 TSHR (0.58) KMT2ANPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL18765244 0.71 GAA (0.57) KMT2ANPC1RAB9AL3MBTL1LIPE
SCHEMBL2857154 0.71 KMT2A (0.55) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL4978171 0.71 ALOX5AP (0.42) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL6644466 0.71 CYP2D6 (0.46) KMT2AMEN1NPC1RAB9AL3MBTL1
Hydrochloric Acid SCHEMBL18765408 0.70 GAA (0.56) KMT2ANPC1RAB9AL3MBTL1LIPE
SCHEMBL10962248 0.70 POLQ (0.43) KMT2ANPC1RAB9AL3MBTL1LIPE
SCHEMBL762423 0.69 ALDH1A1 (0.50) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL243741 0.69 POLB (0.51) KMT2AMEN1NPC1RAB9AL3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed