SCHEMBL8912802

SCHEMBL8912802

Cc1nc(N)[nH]c(=O)c1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.50
MAPT P10636 7/20 0.47
ALDH1A1 P00352 5/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 3/20 0.47
ADRB1 P08588 1/20 0.47
TYMS P04818 2/20 0.45
DHFR P00374 1/20 0.45
HTT P42858 1/20 0.45
CHEK2 O96017 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL6703429 0.81 DHFR (0.65) SIRT6MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL8913183 0.81 DHFR (0.44) POLBTYMSDHFR
SCHEMBL15271381 0.72 SIRT6 (0.81) SIRT6MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6151230 0.72 SIRT6 (0.81) SIRT6MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL12240580 0.71 SIRT6 (0.74) SIRT6MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL8912815 0.70 TSHR (0.57) ALDH1A1LMNASMN1; SMN2TYMSHTT
SCHEMBL8911693 0.69 TTR (0.47) ALDH1A1POLBDHFR
SCHEMBL8912282 0.69 DRD4 (0.43) ALDH1A1DHFR
SCHEMBL10651835 0.69 DHFR (0.46) SIRT6MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL1646189 0.69 MEN1 (0.61) SIRT6MAPTALDH1A1LMNASMN1; 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-5670508-A ANTITUMOR AGENTS FOR BRAIN TUMORS NATIONAL SCIENCE COUNCIL (TW) 1997-09-23 US disclosed