SCHEMBL2852038

SCHEMBL2852038

NCc1ccc(Cl)cc1Cl.O=C(O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.53
MAPT P10636 2/20 0.53
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PTPN1 P18031 3/20 0.48
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
CRHBP P24387 1/20 0.42
MC4R P32245 1/20 0.42
CRHR2 Q13324 1/20 0.42
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
HSD11B1 P28845 1/20 0.41
ACHE P22303 1/20 0.41
TRPC3 Q13507 1/20 0.40

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
SCHEMBL2851005 0.82 P2RX7 (0.66) P2RX7KDM4EALDH1A1TRPC3
SCHEMBL2856265 0.81 MAPT (0.78) P2RX7MAPTPOLBSMN1; SMN2PTPN1
SCHEMBL2064195 0.80 MAPT (0.76) MAPTPOLBSMN1; SMN2PTPN1KDM4E
SCHEMBL2299638 0.76 SMN1; SMN2 (0.57) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL2850399 0.74 MAPT (0.74) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL2294536 0.74 MAPT (0.66) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL2853354 0.74 P2RX7 (0.63) P2RX7
SCHEMBL2850449 0.73 SMN1; SMN2 (0.57) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL24303276 0.73 MAPT (0.61) MAPTPOLBSMN1; SMN2PTPN1KDM4E
SCHEMBL2858203 0.73 MAPT (0.68) MAPTPOLBSMN1; SMN2PTPN1KDM4E

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