SCHEMBL6658043

SCHEMBL6658043

Nc1ccc2c(c1)CCc1cc(N)ccc1-2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.71
CASP7 P55210 1/20 0.71
HSD17B10 Q99714 1/20 0.71
MAPT P10636 5/20 0.58
LMNA P02545 4/20 0.58
RAB9A P51151 4/20 0.58
ALDH1A1 P00352 4/20 0.58
NPC1 O15118 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
KDM4E B2RXH2 2/20 0.58
HPGD P15428 2/20 0.58
MAOB P27338 1/20 0.49
GAA P10253 3/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
TLR9 Q9NR96 1/20 0.47
CA9 Q16790 1/20 0.42
TSHR P16473 3/20 0.41
POLB P06746 2/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL31456581 0.89 RAB9A (0.70) CASP1CASP7HSD17B10MAPTLMNA
SCHEMBL1527513 0.89 RAB9A (0.70) CASP1CASP7HSD17B10MAPTLMNA
SCHEMBL7472289 0.87 CASP1 (0.63) CASP1CASP7HSD17B10MAPTLMNA
SCHEMBL434358 0.84 CASP1 (1.00) CASP1CASP7HSD17B10MAPTLMNA
SCHEMBL7471741 0.84 CASP1 (0.59) CASP1CASP7HSD17B10MAPTLMNA
SCHEMBL123584 0.83 RAB9A (0.78) CASP1CASP7HSD17B10MAPTLMNA
SCHEMBL29372630 0.83 RAB9A (0.78) CASP1CASP7HSD17B10MAPTLMNA
Hydrochloric Acid SCHEMBL27821207 0.82 CASP1 (0.96) CASP1CASP7HSD17B10MAPTLMNA
SCHEMBL7284296 0.82 ALDH1A1 (0.55) CASP1CASP7HSD17B10MAPTALDH1A1
Hydrochloric Acid SCHEMBL17417855 0.81 RAB9A (0.75) CASP1CASP7HSD17B10MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5576417-A Method for synthesizing aromatic polymers DIRECTOR-GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1996-11-19 US claimed
WO-2004003044-A2 DYNAMERS: POLYMERIC MATERIALS EXHIBITING REVERSIBLE FORMATION AND COMPONENT EXCHANGE LEHN JEAN-MARIE (FR) 2004-01-08 WO disclosed
US-5576417-A Method for synthesizing aromatic polymers DIRECTOR-GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1996-11-19 US disclosed