SCHEMBL8538200

SCHEMBL8538200

O=[N+]([O-])c1ccc(C#Cc2ccc(-n3cnnn3)cc2)s1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 4/20 0.41
KCNH2 Q12809 2/20 0.41
MAPT P10636 4/20 0.39
NOTUM Q6P988 4/20 0.39
F2 P00734 1/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
BLM P54132 1/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL8538325 0.73 KCNJ1 (0.41) KCNJ1KCNH2MAPTNOTUMF2
SCHEMBL8532934 0.73 FBP1 (0.39) KCNJ1KCNH2MAPTALDH1A1
SCHEMBL15177264 0.73 MEN1 (0.46) KCNH2MAPTALDH1A1LMNATDP1
SCHEMBL1269000 0.71 KCNJ1 (0.68) KCNJ1KCNH2MAPTNOTUMF2
SCHEMBL8539025 0.70 KMT2A (0.34) MAPTALDH1A1LMNATDP1POLB
SCHEMBL12208232 0.70 DRD5 (0.40) MAPTALDH1A1TDP1POLBHTT
SCHEMBL12208052 0.70 MMP2 (0.43) MAPTALDH1A1LMNATDP1HTT
SCHEMBL8538202 0.68 CYP2A6 (0.32)
SCHEMBL12615985 0.66 NOTUM (0.78) KCNJ1MAPTNOTUMF2ALDH1A1
SCHEMBL15177266 0.64 KMT2A (0.40) MAPTALDH1A1LMNATDP1POLB

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-5726195-A Aminoacyl adenylate mimics as novel antimicrobial and antiparasitic agents CUBIST PHARMACEUTICALS, INC. (US) 1998-03-10 US disclosed