SCHEMBL2854992

SCHEMBL2854992

O=C(Nc1ccc(Cl)cn1)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
BRD4 O60885 1/20 0.43
SMN1; SMN2 Q16637 7/20 0.41
PTK2 Q05397 1/20 0.41
RAB9A P51151 8/20 0.41
NPC1 O15118 5/20 0.41
TSHR P16473 3/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
GPR6 P46095 1/20 0.39
TP53 P04637 3/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL2854489 0.93 PTGS1 (0.43) RAB9ANPC1MAPTGPR6
SCHEMBL2853088 0.92 NR3C1 (0.41) L3MBTL1PTK2RAB9ANPC1TSHR
SCHEMBL2853241 0.87 SMN1; SMN2 (0.41) L3MBTL1BRD4SMN1; SMN2PTK2RAB9A
SCHEMBL2852244 0.86 MAPT (0.48) SMN1; SMN2MAPTGPR6CYP1A2CYP2D6
SCHEMBL2860795 0.86 KMT2A (0.46) SMN1; SMN2RAB9ANPC1TSHRMAPT
SCHEMBL2854626 0.85 MAPT (0.40) SMN1; SMN2RAB9ANPC1MAPTGPR6
SCHEMBL2850712 0.85 MAPT (0.41) SMN1; SMN2RAB9ANPC1MAPTGPR6
SCHEMBL2855796 0.85 ALDH1A1 (0.43) L3MBTL1SMN1; SMN2PTK2RAB9ANPC1
SCHEMBL2852401 0.85 L3MBTL1 (0.39) L3MBTL1BRD4SMN1; SMN2PTK2RAB9A
SCHEMBL2860252 0.84 MAPT (0.39) SMN1; SMN2TSHRMAPTGPR6ACHE

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