SCHEMBL2853080

SCHEMBL2853080

O=C(NCc1ccccc1Cl)Oc1cnn(Cc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
HPGD P15428 1/20 0.50
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KLKB1 P03952 6/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK8 P45983 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 1/20 0.41
SCD5 Q86SK9 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL2860106 0.88 KLKB1 (0.52) ALDH1A1SMN1; SMN2NPC1RAB9AKLKB1
SCHEMBL2859721 0.88 KLKB1 (0.49) LMNAHPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL2852927 0.85 KLKB1 (0.50) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2852329 0.82 TAAR1 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AKLKB1
SCHEMBL2848515 0.82 LMNA (0.50) LMNAHPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL2861622 0.82 EPHX1 (0.60) LMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL2852519 0.81 TAAR1 (0.59) ALDH1A1SMN1; SMN2NPC1RAB9AKLKB1
SCHEMBL2858761 0.80 LMNA (0.76) LMNAHPGDSMN1; SMN2KLKB1L3MBTL1
SCHEMBL2848393 0.79 TAAR1 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9AKLKB1
SCHEMBL2859353 0.79 TAAR1 (0.66) LMNAHPGDALDH1A1SMN1; SMN2TP53

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