SCHEMBL6757643

SCHEMBL6757643

CCc1cn([C@@H]2CC[C@H](CO)O2)c(=O)n(N=[N+]=[N-])c1=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
ALB P02768 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 2/20 0.36
TK1 P04183 2/20 0.36
PKM P14618 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
CYP2D6 P10635 1/20 0.36
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
CYP1A2 P05177 1/20 0.32

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
SCHEMBL6757641 1.00 LMNA (0.36) LMNAALBALDH1A1MAPK1TSHR
SCHEMBL3813740 0.89 LMNA (0.41) LMNAALBALDH1A1MAPK1TSHR
Phosphoric Acid SCHEMBL9086402 0.86 TK1 (0.39) LMNAALBALDH1A1MAPK1TSHR
SCHEMBL10481880 0.85 LMNA (0.37) LMNAALBALDH1A1MAPK1TSHR
SCHEMBL10481879 0.85 LMNA (0.37) LMNAALBALDH1A1MAPK1TSHR
SCHEMBL10764308 0.83 LMNA (0.35) LMNAALBALDH1A1MAPK1TSHR
SCHEMBL10522154 0.79 ALDH1A1 (0.40) LMNAALBALDH1A1MAPK1TK1
SCHEMBL6744346 0.78 ABL1 (0.41) LMNAALBALDH1A1MAPK1TSHR
SCHEMBL6744345 0.78 ABL1 (0.41) LMNAALBALDH1A1MAPK1TSHR
SCHEMBL9279551 0.74 TK1 (0.44) LMNAALBTSHRTK1PKM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480638-A2 PORPHYRINS WITH VIRUCIDAL ACTIVITY EMORY UNIVERSITY (US) 2004-12-01 EP claimed
WO-2003057176-A2 PORPHYRINS WITH VIRUCIDAL ACTIVITY EMORY UNIVERSITY (US) 2003-07-17 WO claimed