SCHEMBL6036699

SCHEMBL6036699

CCc1c(N)ccc([N+](=O)[O-])c1CC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
MAPT P10636 4/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 5/20 0.47
TDP1 Q9NUW8 5/20 0.46
CYP3A4 P08684 5/20 0.46
POLB P06746 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.44
PKM P14618 1/20 0.40
RECQL P46063 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GPR35 Q9HC97 1/20 0.38
SIRT6 Q8N6T7 1/20 0.37

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
SCHEMBL2337048 0.87 POLB (0.47) ALDH1A1MAPTLMNATSHRTDP1
SCHEMBL6834458 0.85 ALDH1A1 (0.45) ALDH1A1MAPTLMNATSHRTDP1
SCHEMBL1668133 0.83 TDP1 (0.48) ALDH1A1MAPTLMNATSHRTDP1
SCHEMBL8091152 0.80 PDK1 (0.42) ALDH1A1MAPTLMNATSHRTDP1
SCHEMBL7444129 0.80 LMNA (0.47) ALDH1A1MAPTLMNATSHRTDP1
SCHEMBL4592212 0.79 POLB (0.47) ALDH1A1MAPTLMNATSHRTDP1
Alcohol SCHEMBL11148831 0.79 FBP1 (0.46) ALDH1A1MAPTLMNATSHRTDP1
SCHEMBL77335 0.78 POLB (0.46) ALDH1A1MAPTLMNATSHRTDP1
SCHEMBL15173799 0.78 TSHR (0.49) ALDH1A1MAPTLMNATSHRTDP1
SCHEMBL28146285 0.78 TSHR (0.44) ALDH1A1MAPTLMNATSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106365243-A Abandoned flow type rainwater depth cyclic purification device and purification processes thereof 徐州工程学院 2017-02-01 CN claimed
CN-1910444-B Molecular engram polymer, preparing method thereof and method for detecting the existing of analyte UNIV NEW YORK STATE RES FOUND 2010-04-14 CN claimed
CN-106365243-A Abandoned flow type rainwater depth cyclic purification device and purification processes thereof 徐州工程学院 2017-02-01 CN disclosed
EP-1699832-A2 SITE SELECTIVELY TAGGED AND TEMPLATED MOLECULARLY IMPRINTED POLYMERS FOR SENSOR APPLICATIONS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2006-09-13 EP disclosed
WO-2005056613-A2 SITE SELECTIVELY TAGGED AND TEMPLATED MOLECULARLY IMPRINTED POLYMERS FOR SENSOR APPLICATIONS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2005-06-23 WO disclosed
US-4070188-A One bath type silver dye bleaching and silver bleaching FUJI PHOTO FILM CO., LTD. (JA) 1978-01-24 US disclosed