SCHEMBL8691503

SCHEMBL8691503

CN(C)C=C1CCN(Cc2ccc([N+](=O)[O-])cc2)c2ncccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
LMNA P02545 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HSD11B1 P28845 1/20 0.37
MAPT P10636 5/20 0.36
APP P05067 1/20 0.36
SNCA P37840 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL8689025 0.87 P2RX7 (0.38) LMNAMAPTL3MBTL1SMN1; SMN2TDP1
SCHEMBL5232572 0.80 MAPT (0.39) LMNAMAPTL3MBTL1SMN1; SMN2CASP3
SCHEMBL7318709 0.78 ALDH1A1 (0.39) MAPTL3MBTL1SMN1; SMN2RAB9AKDM4E
SCHEMBL8691614 0.77 HDAC6 (0.45) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL8688564 0.74 KDM4E (0.38) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL5238517 0.69 ALDH1A1 (0.39) LMNAMAPTL3MBTL1SMN1; SMN2CA12
SCHEMBL7330871 0.67 ALDH1A1 (0.46) LMNAMAPTL3MBTL1SMN1; SMN2CASP3
SCHEMBL7330866 0.67 ALDH1A1 (0.46) LMNAMAPTL3MBTL1SMN1; SMN2CASP3
SCHEMBL7241284 0.65 KMT2A (0.49) MAPTSMN1; SMN2TDP1KDM4EMEN1
SCHEMBL7241282 0.65 KMT2A (0.49) MAPTSMN1; SMN2TDP1KDM4EMEN1

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