SCHEMBL8535901

SCHEMBL8535901

O=[N+]([O-])c1ccc(N2CCN(c3nc(N4CCOCC4)nc(-n4ccnc4)n3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
POLB P06746 3/20 0.53
HTT P42858 2/20 0.53
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
AKR1C3 P42330 1/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
BLM P54132 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
IDE P14735 1/20 0.47
TDP1 Q9NUW8 3/20 0.46
SRC P12931 1/20 0.45

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
SCHEMBL8535578 0.84 TSHR (0.59) MAPTPOLBHTTLMNATSHR
SCHEMBL8533965 0.82 MAPT (0.58) MAPTPOLBHTTLMNATSHR
SCHEMBL8537286 0.82 MAPT (0.58) MAPTPOLBHTTLMNATSHR
SCHEMBL8533688 0.81 LMNA (0.57) MAPTPOLBHTTLMNATSHR
SCHEMBL3278610 0.81 LMNA (0.57) MAPTPOLBHTTLMNATSHR
SCHEMBL12562674 0.78 MAPT (0.61) MAPTPOLBHTTLMNAAKR1C3
SCHEMBL12562672 0.78 MAPT (0.61) MAPTPOLBHTTLMNAAKR1C3
SCHEMBL85548 0.77 AKR1C3 (0.71) MAPTPOLBLMNAAKR1C3KMT2A
SCHEMBL8535151 0.76 LMNA (0.56) MAPTPOLBHTTLMNATSHR
SCHEMBL12562872 0.76 MAPT (0.57) MAPTPOLBHTTAKR1C3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629622-B1 S-TRIAZINE DERIVATIVE AND REMEDY FOR ESTROGEN-DEPENDENT DISEASES CONTAINING THE SAME AS ACTIVE INGREDIENT ZENYAKU KOGYO KK (JP) 1998-11-11 EP disclosed
US-5489591-A INHIBITORS OF AROMATASE; TREATING ENDOMETRIOSIS, BREAST CANCER CYSTIC OVARIES ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1996-02-06 US disclosed
EP-0629622-A1 s-TRIAZINE DERIVATIVE AND REMEDY FOR ESTROGEN-DEPENDENT DISEASES CONTAINING THE SAME AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1994-12-21 EP disclosed