SCHEMBL7016111

SCHEMBL7016111

C[C@H](O)Cc1ccc(Nc2ccc(CC=O)cc2[N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MAPT P10636 6/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 4/20 0.45
ALDH3A1 P30838 4/20 0.45
MAPK1 P28482 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
EPAS1 Q99814 1/20 0.42
HCAR3 P49019 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 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
SCHEMBL7012419 1.00 KMT2A (0.50) KMT2AMAPTLMNASMN1; SMN2HTT
SCHEMBL7018740 1.00 KMT2A (0.50) KMT2AMAPTLMNASMN1; SMN2HTT
SCHEMBL1625587 0.82 KMT2A (0.61) KMT2AMAPTLMNASMN1; SMN2HTT
SCHEMBL1626173 0.82 KMT2A (0.61) KMT2AMAPTLMNASMN1; SMN2HTT
SCHEMBL1626319 0.82 KMT2A (0.61) KMT2AMAPTLMNASMN1; SMN2HTT
SCHEMBL7015453 0.82 TDP1 (0.45) KMT2AMAPTLMNASMN1; SMN2HTT
SCHEMBL6384045 0.81 KMT2A (0.50) KMT2AMAPTLMNASMN1; SMN2HTT
SCHEMBL28008746 0.81 KMT2A (0.61) KMT2AMAPTLMNASMN1; SMN2HTT
SCHEMBL6386479 0.80 GAA (0.40) KMT2AMAPTLMNASMN1; SMN2HTT
SCHEMBL6387368 0.80 GAA (0.40) KMT2AMAPTLMNASMN1; SMN2HTT

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
EP-1326606-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
WO-2002032422-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed