SCHEMBL851772

SCHEMBL851772

CC1CC(NCc2cnc3nc(N)[nH]c(=O)c3n2)=CCC1[C]=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 12/20 0.47
▸ HSD17B10 Q99714 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TYMS P04818 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ AKR1B1 P15121 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.32

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
SCHEMBL7757815 0.87 NOS1 (0.43) NOS1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL2509297 0.81 NOS1 (0.46) NOS1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL10112077 0.74 NOS1 (0.67) NOS1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL3980437 0.74 AKR1B1 (0.47) NOS1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL15794397 0.74 NOS1 (0.47) NOS1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL20341268 0.70 NOS1 (0.64) NOS1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL8400627 0.70 HSD17B10 (0.59) NOS1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL16075074 0.70 HSD17B10 (0.58) NOS1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL18644423 0.69 KDM4E (0.61) NOS1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL14136977 0.69 NOS1 (0.66) NOS1HSD17B10KDM4EMEN1ALDH1A1

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-20200239897-A1 PROMOTERS FROM CORYNEBACTERIUM GLUTAMICUM AND USES THEREOF IN REGULATING ANCILLARY GENE EXPRESSION ZYMERGEN INC. 2020-07-30 — — US disclosed
US-20180362991-A1 PROMOTERS FROM CORYNEBACTERIUM GLUTAMICUM ZYMERGEN INC. 2018-12-20 — — US disclosed
US-20130066088-A1 METHODS FOR OBTAINING HIGH-YIELDING OIL PALM PLANTS SIME DARBY MALAYSIA BERHAD (MY) 2013-03-14 — — US disclosed
EP-2434421-A2 Compositions and methods for modeling saccharomyces cerevisiae metabolism The Regents of The University of California (US) 2012-03-28 — — EP disclosed
US-7585617-B2 For liberating and isolating component materials contained in a biological cell and for qualitative detection and quantitative determination of the liberated materials INSILICO BIOTECHNOLOGY GMBH (DE) 2009-09-08 — — US disclosed
US-20070298484-A1 Method and Device for Thermal Conditioning of a Cell INSILICO BIOTECHNOLOGY GMBH (DE) 2007-12-27 — — US disclosed
US-6239264-B1 NUCLEOTIDE SEQUENCES; CLONING VECTORS; TRANSFORMED HOST CELLS; PRIMERS FOR DETECTION SYNGENTA PARTICIPATIONS AG (CH) 2001-05-29 — — US disclosed
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