SCHEMBL20677809

SCHEMBL20677809

c1ccc2[nH]c(C3CC(c4nc5ccccc5[nH]4)CC(c4nc5ccccc5[nH]4)C3)nc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
PKM P14618 2/20 0.52
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
ABCB11 O95342 1/20 0.52
TP53 P04637 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HTR2B P41595 5/20 0.51
NPY5R Q15761 1/20 0.49
KMT2A Q03164 2/20 0.48
MASP2 O00187 1/20 0.48
MEN1 O00255 1/20 0.48
NUDT1 P36639 1/20 0.48
AOC3 Q16853 1/20 0.48
GAA P10253 1/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL2641580 0.89 HTR2B (0.50) ALDH1A1PKMKDM4ENPC1ABCB11
SCHEMBL2641581 0.89 HTR2B (0.50) ALDH1A1PKMKDM4ENPC1ABCB11
SCHEMBL12030470 0.89 TRPC3 (0.49) ALDH1A1PKMKDM4ENPC1ABCB11
SCHEMBL2276872 0.88 ALDH1A1 (0.59) ALDH1A1PKMKDM4ENPC1ABCB11
Hydrochloric Acid SCHEMBL31596380 0.86 MAPT (0.57) ALDH1A1PKMKDM4ENPC1ABCB11
SCHEMBL1298956 0.85 PARP1 (0.50) ALDH1A1PKMKDM4ENPC1ABCB11
SCHEMBL6756134 0.85 NPC1 (0.59) KDM4ENPC1RAB9AHTR2BNPY5R
SCHEMBL2491349 0.85 HTR2B (0.49) ALDH1A1PKMKDM4ENPC1ABCB11
SCHEMBL2674802 0.85 HTR2B (0.55) KDM4ENPC1RAB9AHTR2BNPY5R
SCHEMBL724921 0.83 NPC1 (0.62) KDM4ENPC1RAB9AHTR2BNPY5R

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
US-20250083109-A1 Polymeric Composites Having Oriented Nanopores and Methods of Making the Same UNIV YALE (US) 2025-03-13 US disclosed
US-20190030490-A1 Polymeric Composites Having Oriented Nanopores and Methods of Making the Same UNIV YALE (US) 2019-01-31 US disclosed