SCHEMBL2761565

SCHEMBL2761565

O=C(O)c1cc(-c2nnn[nH]2)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 7/20 0.51
ACMSD Q8TDX5 7/20 0.51
DHFR P00374 2/20 0.51
HNF4A P41235 1/20 0.51
LCK P06239 2/20 0.49
KLKB1 P03952 1/20 0.45
CTSB P07858 1/20 0.45
MMP9 P14780 1/20 0.45
DNMT1 P26358 1/20 0.45
DNMT3B Q9UBC3 1/20 0.45
DNMT3L Q9UJW3 1/20 0.45
DNMT3A Q9Y6K1 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44

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
SCHEMBL6175969 0.86 MCL1 (0.40) MCL1ACMSDDHFRHNF4ALCK
SCHEMBL551292 0.86 CHUK (0.53) MCL1ACMSDDHFRHNF4AMEN1
SCHEMBL6011860 0.83 XDH (0.55) CTSBKMT2ABLMTDP1KDM4E
SCHEMBL18496442 0.80 PPM1B (0.49) MCL1ACMSDHNF4AMEN1KMT2A
SCHEMBL1482781 0.80 RARB (0.42)
SCHEMBL7462417 0.80 CFD (0.44) MCL1LCKAPPRECQLTDP1
SCHEMBL23796780 0.78 KMT2A (0.40) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL11634565 0.78 PTPN1 (0.42) MCL1ACMSDDHFRHNF4AKDM4E
SCHEMBL8217792 0.76 ESR2 (0.46) CA1CA2PTGS2HSD17B10
SCHEMBL3647545 0.76 FGFR1 (0.46) KDM4ELMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010151131-A2 APPARATUS FOR DETECTING VIABLE MICROORGANISMS OR SPORES IN A SAMPLE AND USE THEREOF. NEDERLANDSE ORGANISATIE VOOR TOEGEPAST- NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2010-12-29 WO claimed
EP-2232243-A1 REAL-TIME METHOD FOR THE DETECTION OF VIABLE MICRO-ORGANISMS Nederlandse Organisatie voor toegepast -natuurwetenschappelijk onderzoek TNO (NL) 2010-09-29 EP claimed
WO-2009082218-A1 REAL-TIME METHOD FOR THE DETECTION OF VIABLE MICRO-ORGANISMS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2009-07-02 WO claimed
WO-2010151131-A2 APPARATUS FOR DETECTING VIABLE MICROORGANISMS OR SPORES IN A SAMPLE AND USE THEREOF. NEDERLANDSE ORGANISATIE VOOR TOEGEPAST- NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2010-12-29 WO disclosed