SCHEMBL5822348

SCHEMBL5822348

O=C(N/N=C/c1cc(F)ccc1O)c1ccc(F)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.66
RAB9A P51151 5/20 0.64
NPC1 O15118 4/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
KDM4E B2RXH2 3/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
PSMD14 O00487 1/20 0.63
LMNA P02545 1/20 0.63
POLB P06746 1/20 0.63
MMP2 P08253 1/20 0.63
HTT P42858 1/20 0.63
BLM P54132 1/20 0.63
MAPT P10636 2/20 0.61
MAOA P21397 1/20 0.60
MAOB P27338 1/20 0.60
MITF O75030 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
ASF1A Q9Y294 2/20 0.59
TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL5812859 1.00 KDM1A (0.66) KDM1ARAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL5812856 1.00 KDM1A (0.66) KDM1ARAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL20588127 0.91 KMT2A (0.76) KDM1ARAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL20588125 0.91 KMT2A (0.76) KDM1ARAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL22179534 0.91 KMT2A (0.76) KDM1ARAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL12387718 0.91 GCGR (0.65) KDM1ARAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL684807 0.90 MAPT (0.64) KDM1ARAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL684783 0.90 KDM1A (0.82) KDM1ARAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL686241 0.89 PHGDH (0.67) KDM1ARAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL17967182 0.88 KDM1A (0.56) KDM1ARAB9ANPC1SMN1; SMN2KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006136008-A1 SALICYLIC ACID HYDRAZONES AS INHIBITORS OF THE ERK MAPKINASE PATHWAY AND FOR THE TREATMENT OF CANCER UNIVERSITY HEALTH NETWORK (CA) 2006-12-28 WO claimed
WO-2006136008-A1 SALICYLIC ACID HYDRAZONES AS INHIBITORS OF THE ERK MAPKINASE PATHWAY AND FOR THE TREATMENT OF CANCER UNIVERSITY HEALTH NETWORK (CA) 2006-12-28 WO disclosed