SCHEMBL2852401

SCHEMBL2852401

O=C(Nc1ccc(Cl)cn1)Oc1cnn(-c2cccc(Cl)n2)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 7/20 0.38
RAB9A P51151 6/20 0.38
NPC1 O15118 5/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
PTK2 Q05397 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
BRD4 O60885 1/20 0.37
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL2855796 0.88 ALDH1A1 (0.43) L3MBTL1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL2853241 0.85 SMN1; SMN2 (0.41) L3MBTL1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL2854992 0.85 L3MBTL1 (0.43) L3MBTL1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL2852553 0.82 MALT1 (0.40) L3MBTL1SMN1; SMN2NPC1MEN1KMT2A
SCHEMBL2854492 0.80 MAPT (0.42) L3MBTL1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL2853088 0.80 NR3C1 (0.41) L3MBTL1RAB9ANPC1ALDH1A1TSHR
SCHEMBL2856974 0.80 MAPT (0.39) L3MBTL1SMN1; SMN2RAB9ANPC1MEN1
SCHEMBL2852387 0.80 P2RX7 (0.37) RXFP1
SCHEMBL2850882 0.79 MALT1 (0.44)
SCHEMBL2859504 0.79 TAAR1 (0.43) RAB9ANPC1TSHRLMNAMEN1

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 claimed