SCHEMBL4614546

SCHEMBL4614546

O=C1C=C(Cc2ccc([N+](=O)[O-])cc2)C(=O)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.44
TSHR P16473 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
IDO1 P14902 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 5/20 0.40
CYP2C19 P33261 3/20 0.40
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
METAP1 P53582 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 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
SCHEMBL4804512 0.76 ESR1 (0.46) CA2ALDH1A1TDP1KDM4E
SCHEMBL3675112 0.76 DAO (0.41) IDO1ALDH1A1MAPTSMN1; SMN2
SCHEMBL94148 0.75 MAOA (0.48) MEN1KMT2ASMN1; SMN2
SCHEMBL8094050 0.74 POLB (0.76) POLBLOXL2TSHRCA12CA1
SCHEMBL8087428 0.74 POLB (0.76) POLBLOXL2TSHRCA12CA1
SCHEMBL44366 0.74 POLB (0.76) POLBLOXL2TSHRCA12CA1
SCHEMBL18973131 0.72 HAO1 (0.38) CA12CA2CA9MEN1KMT2A
SCHEMBL18973135 0.72 MAPT (0.40) POLBALDH1A1MAPTLMNA
SCHEMBL9348586 0.71 CYP3A4 (0.43) POLBCA12CA1CA2CA9
SCHEMBL3684146 0.70 SRD5A2 (0.47) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351982-B1 X RAY CRYSTAL STRUCTURES AT 5.5 A RESOLUTION OF FUNCTIONAL COMPLEXES OF THE BACTERIAL RIBOSOME CONTAINING TRANSFER RNA AND MODEL MESSENGER RNAS UNIV CALIFORNIA (US) 2008-02-13 EP disclosed
US-7133783-B2 X-ray crystal structures of functional ribosome complexes containing transfer RNA and model messenger RNAs and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-11-07 US disclosed
US-20020188108-A1 X-ray crystal structures of functional ribosome complexes containing transfer RNA and model messenger RNAs and methods of use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-12-12 US disclosed