SCHEMBL8925860

SCHEMBL8925860

CCOC(=O)C(Cl)(Cl)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 8/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
AR P10275 3/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 2/20 0.43
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL27370387 0.83 ALDH1A1 (0.56) ALDH1A1POLBMAPTKMT2APKM
SCHEMBL11841515 0.83 ALDH1A1 (0.56) ALDH1A1POLBMAPTKMT2APKM
SCHEMBL664917 0.83 ALDH1A1 (0.56) ALDH1A1POLBMAPTKMT2APKM
SCHEMBL395369 0.83 ALDH1A1 (0.56) ALDH1A1POLBMAPTKMT2APKM
SCHEMBL11844260 0.83 ALDH1A1 (0.50) ALDH1A1POLBMAPTKMT2APKM
SCHEMBL8924832 0.83 ALDH1A1 (0.63) ALDH1A1POLBMAPTKMT2ALMNA
SCHEMBL18053923 0.82 ALDH1A1 (0.55) ALDH1A1POLBMAPTKMT2APKM
SCHEMBL11039515 0.82 ALDH1A1 (0.76) ALDH1A1POLBMAPTKMT2APKM
SCHEMBL2880801 0.82 ALDH1A1 (0.55) ALDH1A1POLBMAPTKMT2APKM
SCHEMBL22838063 0.82 ALDH1A1 (0.58) ALDH1A1POLBMAPTKMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673400-A1 POLYCYCLIC DYES BASF AKTIENGESELLSCHAFT (DE) 1995-09-27 EP claimed
WO-1994012577-A2 POLYCYCLIC DYES ZENECA LIMITED (GB) 1994-06-09 WO claimed
US-5663371-A Process for preparing polycyclic dyes ZENECA LIMITED (GB) 1997-09-02 US disclosed
EP-0673400-A1 POLYCYCLIC DYES BASF AKTIENGESELLSCHAFT (DE) 1995-09-27 EP disclosed
WO-1994012577-A2 POLYCYCLIC DYES ZENECA LIMITED (GB) 1994-06-09 WO disclosed