SCHEMBL7989208

SCHEMBL7989208

COc1cccc(-c2[nH]c(-c3cccc([N+](=O)[O-])c3)nc2C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.61
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 4/20 0.49
RAB9A P51151 3/20 0.49
HTT P42858 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 2/20 0.48
LMNA P02545 2/20 0.48
MMP13 P45452 2/20 0.48
CASP3 P42574 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ADORA2A P29274 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47

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
SCHEMBL7988557 0.92 PIN1 (0.58) PIN1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7989904 0.92 MEN1 (0.54) PIN1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7991879 0.87 MAPT (0.51) PIN1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7991660 0.82 MAPT (0.49) PIN1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7988193 0.81 MAPT (0.52) PIN1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7978081 0.81 MAPT (0.52) PIN1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7992228 0.81 PIN1 (0.68) PIN1MEN1KMT2AMAPTCYP1A2
SCHEMBL7991730 0.81 MEN1 (0.56) MEN1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL7995168 0.79 MAPT (0.51) MEN1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL7988461 0.79 F2 (0.50) PIN1MEN1KMT2ASMN1; SMN2MAPT

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
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed