SCHEMBL8688564

SCHEMBL8688564

CN(C)C=C1CCN(Cc2ccc([N+](=O)[O-])cc2)c2ccsc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KCNJ1 P48048 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
KCNH2 Q12809 1/20 0.35
AMY1A P0DUB6 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL5235254 0.79 ALDH1A1 (0.40) L3MBTL1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL5234520 0.79 ALDH1A1 (0.40) L3MBTL1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL5233480 0.75 KMT2A (0.39) KDM4EALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL5233477 0.75 KMT2A (0.39) KDM4EALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL8691503 0.74 DRD2 (0.39) KDM4ENPSR1L3MBTL1ALDH1A1MAPT
SCHEMBL19454419 0.71 KDM4E (0.48) KDM4EALDH1A1KCNJ1MAPTSMN1; SMN2
SCHEMBL5231836 0.68 STING1 (0.38) KDM4EL3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL11358481 0.65 MAPT (0.55) KDM4EL3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL31011703 0.64 KDM4E (0.57) KDM4EALDH1A1KCNJ1MAPTSMN1; SMN2
SCHEMBL11048969 0.64 KDM4E (0.57) KDM4EALDH1A1KCNJ1MAPTSMN1; SMN2

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-5719278-A TREATING EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1998-02-17 US disclosed