SCHEMBL2494097

SCHEMBL2494097

CCC(C)Nc1nc(N)nc(Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.41
TP53 P04637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.37
PDE4A P27815 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL10059800 0.87 L3MBTL1 (0.47) GAATDP1ALDH1A1L3MBTL1TP53
SCHEMBL11044268 0.87 GAA (0.56) GAATDP1ALDH1A1L3MBTL1TP53
SCHEMBL2491780 0.81 GAA (0.73) GAATDP1ALDH1A1L3MBTL1TP53
SCHEMBL1425222 0.81 GAA (0.72) GAATDP1ALDH1A1L3MBTL1MEN1
SCHEMBL18829560 0.80 L3MBTL1 (0.42) GAATDP1ALDH1A1L3MBTL1TP53
SCHEMBL136514 0.79 LMNA (0.68) GAATDP1ALDH1A1KMT2ALMNA
SCHEMBL5789076 0.73 L3MBTL1 (0.41) GAATDP1ALDH1A1L3MBTL1TP53
SCHEMBL10811734 0.73 CYP2C19 (0.55) GAATDP1ALDH1A1L3MBTL1TP53
SCHEMBL29400485 0.73 LMNA (0.72) GAAL3MBTL1MEN1KMT2ACYP1A2
SCHEMBL1425806 0.73 LMNA (0.72) GAAL3MBTL1MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11181512-B2 Electronic ID database and detection method for pesticide compounds in edible Agro-products based on GC-Q-Orbitrap CHINESE ACADEMY OF INSPECTION AND QUARANTINE 2021-11-23 US disclosed
US-11169128-B2 Electronic ID database and detection method for pesticide compound in edible agro-products based on LC-Q-Orbitrap CHINESE ACADEMY OF INSPECTION AND QUARANTINE 2021-11-09 US disclosed
US-20210285921-A1 ELECTRONIC ID DATABASE AND DETECTION METHOD FOR PESTICIDE COMPOUNDS IN EDIBLE AGRO-PRODUCTS BASED ON GC-Q-ORBITRAP CHINESE ACADEMY OF INSPECTION AND QUARANTINE (CN) 2021-09-16 US disclosed
US-20210223219-A1 ELECTRONIC ID DATABASE AND DETECTION METHOD FOR PESTICIDE COMPOUND IN EDIBLE AGRO-PRODUCTS BASED ON LC-Q-ORBITRAP BEIJING UNI-STAR INSPECTION TECHNOLOGY CO., LTD. (CN) 2021-07-22 US disclosed
US-20140116112-A1 METHODS FOR DETERMINING THE PRESENCE OR ABSENCE OF CONTAMINANTS IN A SAMPLE K & D LABORATORIES, INC. (US) 2014-05-01 US disclosed
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 US disclosed
EP-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 EP disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 WO disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 US disclosed