SCHEMBL8912815

SCHEMBL8912815

Cc1nc(N)[nH]c(=O)c1N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
MAPK1 P28482 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HTT P42858 3/20 0.54
GAA P10253 2/20 0.53
ALDH1A1 P00352 5/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TYMS P04818 1/20 0.48
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TRPC5 Q9UL62 1/20 0.46
ATM Q13315 1/20 0.46
PNP P00491 1/20 0.45
DRD4 P21917 2/20 0.45
DRD2 P14416 1/20 0.45

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
SCHEMBL10648072 0.80 DHFR (0.68) HTTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL8911693 0.77 TTR (0.47) TSHRALDH1A1
SCHEMBL11000972 0.77 DRD4 (0.53) TSHRMAPK1MEN1KMT2AHTT
SCHEMBL8913183 0.77 DHFR (0.44) TYMS
SCHEMBL8911701 0.75 NOS1 (0.47) MAPK1MEN1KMT2A
SCHEMBL8912282 0.75 DRD4 (0.43) ALDH1A1KDM4EDRD4DRD2DRD3
SCHEMBL8912435 0.74 DHFR (0.40) TYMSATM
SCHEMBL10653130 0.73 LMNA (0.50) TSHRMAPK1MEN1KMT2AHTT
SCHEMBL10998482 0.72 KMT2A (0.53) TSHRMAPK1MEN1KMT2AHTT
SCHEMBL10650805 0.71 DRD4 (0.49) TSHRMAPK1MEN1KMT2AHTT

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