SCHEMBL8533965

SCHEMBL8533965

Nc1ccc(N2CCN(c3nc(N4CCOCC4)nc(-n4ccnc4)n3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
LMNA P02545 7/20 0.58
TSHR P16473 6/20 0.58
HTT P42858 6/20 0.58
NPSR1 Q6W5P4 5/20 0.58
POLB P06746 1/20 0.58
PIK3R1 P27986 3/20 0.53
PIK3CA P42336 3/20 0.53
MTOR P42345 3/20 0.53
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
GPR55 Q9Y2T6 1/20 0.47
USP2 O75604 2/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL8537286 0.87 MAPT (0.58) MAPTLMNATSHRHTTNPSR1
SCHEMBL3278610 0.86 LMNA (0.57) MAPTLMNATSHRHTTNPSR1
SCHEMBL8533688 0.86 LMNA (0.57) MAPTLMNATSHRHTTNPSR1
SCHEMBL8538662 0.83 TSHR (0.65) MAPTLMNATSHRHTTNPSR1
SCHEMBL8535901 0.82 MAPT (0.53) MAPTLMNATSHRHTTNPSR1
SCHEMBL8535151 0.81 LMNA (0.56) MAPTLMNATSHRHTTNPSR1
SCHEMBL8534074 0.79 TSHR (0.86) MAPTLMNATSHRHTTNPSR1
SCHEMBL8536340 0.79 TSHR (0.86) MAPTLMNATSHRHTTNPSR1
SCHEMBL8538515 0.79 TSHR (0.56) MAPTLMNATSHRHTTNPSR1
SCHEMBL8536287 0.79 LMNA (0.50) MAPTLMNATSHRHTTNPSR1

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