SCHEMBL8533688

SCHEMBL8533688

c1cn(-c2nc(N3CCOCC3)nc(-n3ccnc3)n2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.57
HTT P42858 7/20 0.57
TSHR P16473 6/20 0.57
NPSR1 Q6W5P4 5/20 0.57
MAPT P10636 4/20 0.57
POLB P06746 2/20 0.57
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2D6 P10635 1/20 0.55
GPR55 Q9Y2T6 1/20 0.55
MAPK1 P28482 1/20 0.51
TP53 P04637 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HSD17B10 Q99714 1/20 0.51
USP2 O75604 2/20 0.49
ALOX15 P16050 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 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
SCHEMBL3278610 1.00 LMNA (0.57) LMNAHTTTSHRNPSR1MAPT
SCHEMBL8535151 0.91 LMNA (0.56) LMNAHTTTSHRNPSR1MAPT
SCHEMBL8536287 0.91 LMNA (0.50) LMNAHTTTSHRNPSR1MAPT
SCHEMBL8534810 0.90 LMNA (0.49) LMNAHTTTSHRNPSR1MAPT
SCHEMBL8538515 0.89 TSHR (0.56) LMNAHTTTSHRNPSR1MAPT
SCHEMBL8538966 0.89 TSHR (0.48) LMNAHTTTSHRNPSR1MAPT
SCHEMBL8536292 0.87 TSHR (0.50) LMNAHTTTSHRNPSR1MAPT
SCHEMBL8535618 0.87 LMNA (0.47) LMNAHTTTSHRNPSR1MAPT
SCHEMBL8533965 0.86 MAPT (0.58) LMNAHTTTSHRNPSR1MAPT
SCHEMBL8537026 0.86 TSHR (0.46) LMNAHTTTSHRNPSR1MAPT

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