SCHEMBL19253219

SCHEMBL19253219

Nc1c(N)c(N)c2cc3c4cc5ccccc5cc4c4cc5ccccc5cc4c3cc2c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
HSD17B10 Q99714 6/20 0.44
CYP3A4 P08684 3/20 0.44
TDP1 Q9NUW8 3/20 0.42
HIF1A Q16665 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
ALOX15 P16050 1/20 0.42
HBB P68871 1/20 0.42
PI4KA P42356 1/20 0.42
PI4K2B Q8TCG2 1/20 0.42
PI4K2A Q9BTU6 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
HPRT1 P00492 1/20 0.41
CYP1B1 Q16678 1/20 0.40
NQO1 P15559 1/20 0.39
PDPK1 O15530 1/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39

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
SCHEMBL2321929 0.95 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP3A4TDP1HIF1A
SCHEMBL19253342 0.81 HPRT1 (0.41) ALDH1A1HSD17B10CYP3A4TDP1HIF1A
SCHEMBL28318733 0.81 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP3A4TDP1HIF1A
SCHEMBL190942 0.80 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP3A4TDP1HIF1A
SCHEMBL28463321 0.80 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP3A4TDP1HIF1A
SCHEMBL29423353 0.80 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP3A4TDP1HIF1A
SCHEMBL415471 0.77 ALDH1A1 (0.55) ALDH1A1HSD17B10TDP1HIF1AHPRT1
SCHEMBL27909578 0.77 ALDH1A1 (0.42) ALDH1A1HSD17B10CYP3A4TDP1HIF1A
SCHEMBL19253263 0.77 ALDH1A1 (0.36) ALDH1A1HSD17B10CYP3A4TDP1HIF1A
Anthracene SCHEMBL28787108 0.76 ALDH1A1 (0.53) ALDH1A1HSD17B10CYP3A4TDP1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250026889-A1 TWO DIMENSIONAL POLYMERS COMPRISED OF A COMBINATION OF STIFF AND COMPLIANT MOLECULAR UNITS U.S. GOVERNMENT, AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2025-01-23 US disclosed
US-12110367-B2 Two-dimensional polymers comprised of a combination of stiff and compliant molecular units THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2024-10-08 US disclosed
US-20200148827-A1 TWO-DIMENSIONAL POLYMERS COMPRISED OF A COMBINATION OF STIFF AND COMPLIANT MOLECULAR UNITS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY 2020-05-14 US disclosed
US-10590241-B2 Two-dimensional polymers comprised of a combination of stiff and compliant molecular units THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2020-03-17 US disclosed
US-20170240706-A1 TWO-DIMENSIONAL POLYMERS COMPRISED OF A COMBINATION OF STIFF AND COMPLIANT MOLECULAR UNITS ARMY, UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE 2017-08-24 US disclosed