SCHEMBL2862087

SCHEMBL2862087

CN(CCc1ccccc1)C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
GRIA2 P42262 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CCR1 P32246 2/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
MLYCD O95822 2/20 0.45
HSP90AA1 P07900 2/20 0.44

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
SCHEMBL2854321 0.90 MAPT (0.53) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2850211 0.88 MAPT (0.49) MAPTPOLBSMN1; SMN2CYP2C9CYP2C19
SCHEMBL2854456 0.86 MEN1 (0.47) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2854614 0.82 MAPT (0.49) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2854667 0.82 ALDH1A1 (0.55) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2854177 0.81 CCR1 (0.58) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2854414 0.81 MAPT (0.53) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2859264 0.80 MAPT (0.46) MAPTPOLBSMN1; SMN2GRIA2ALDH1A1
SCHEMBL2853014 0.79 KDM4E (0.60) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL10364986 0.79 MAPT (0.65) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E

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