SCHEMBL27554161

SCHEMBL27554161

O=[N+]([O-])c1cccc(-c2ccnnc2Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
PKM P14618 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
KEAP1 Q14145 2/20 0.45
NFE2L2 Q16236 2/20 0.45
IDO1 P14902 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE4D Q08499 1/20 0.43

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
SCHEMBL28642951 0.81 CASP1 (0.43) ALDH1A1NPC1RAB9AMAPTTDP1
SCHEMBL27652747 0.81 PDE4D (0.53) ATMALDH1A1NPC1RAB9AMAPT
SCHEMBL6803351 0.81 ATM (0.49) ATMALDH1A1NPC1RAB9AMAPT
SCHEMBL18832299 0.79 PDE4D (0.49) ATMALDH1A1NPC1RAB9AMAPT
SCHEMBL4518762 0.74 IDO1 (0.51) ATMALDH1A1NPC1RAB9AMAPT
SCHEMBL6674010 0.74 MAPT (0.57) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL25733915 0.73 RPS6KA3 (0.41) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5004567 0.73 ALDH1A1 (0.55) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6738366 0.73 TSHR (0.76) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL25274620 0.71 CYP2A6 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2PKM

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
CN-1626532-A Amide compounds FUJISAWA PHARMACEUTICAL CO (JP) 2005-06-15 CN disclosed
CN-1170826-C Amide compound ����ҩƷ��ҵ��ʽ���� 2004-10-13 CN disclosed
CN-1376153-A Amide compound FUJISAWA PHARMACEUTICAL CO (JP) 2002-10-23 CN disclosed