SCHEMBL19253263

SCHEMBL19253263

Nc1c(N)c(N)c2c(N)c3c(cc2c1N)c1cc2ccccc2cc1c1cc2ccccc2c(N)c13

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.36
HSD17B10 Q99714 7/20 0.36
HIF1A Q16665 4/20 0.36
CYP1B1 Q16678 1/20 0.36
HPRT1 P00492 1/20 0.34
CYP1A2 P05177 3/20 0.32
HTR2A P28223 1/20 0.32
CYP2A6 P11509 1/20 0.32
KDM4E B2RXH2 4/20 0.32
GAA P10253 3/20 0.32
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
HPGD P15428 5/20 0.31
CYP3A4 P08684 3/20 0.31
TSHR P16473 3/20 0.31
KEAP1 Q14145 1/20 0.31
CASP1 P29466 4/20 0.31
MAOA P21397 2/20 0.31

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
SCHEMBL19253219 0.77 ALDH1A1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL4926102 0.75 ALDH1A1 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL2321929 0.72 ALDH1A1 (0.48) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL28163902 0.70 ALDH1A1 (0.55) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL10326065 0.69 ALDH1A1 (0.48) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL29368234 0.68 HTR2A (0.54) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL1264430 0.68 HTR2A (0.54) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL30134418 0.67 ALDH1A1 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL415471 0.67 ALDH1A1 (0.55) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL677653 0.66 ALDH1A1 (0.48) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1

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 7 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-20230341344-A1 CHEMIRESISTIVE SENSOR MODULE AND WIRELESS ELECTRONIC DEVICE AND IoT SYSTEM IUCF HYU (KR) 2023-10-26 US disclosed
US-20230288361-A1 CHEMIRESISTOR AND METHOD OF MANUFACTURING THE SAME AND CHEMIRESISTIVE SENSOR AND DEVICE IUCF-HYU (INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY) (KR) 2023-09-14 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