SCHEMBL8327014

SCHEMBL8327014

[O-][n+]1ccc2c(ccn2-c2ncc(C(F)(F)F)cc2Cl)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
RECQL P46063 1/20 0.45
MAPT P10636 7/20 0.44
NPSR1 Q6W5P4 6/20 0.44
HPGD P15428 4/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.41
PKM P14618 1/20 0.40
PPARG P37231 1/20 0.40
NR2E3 Q9Y5X4 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
LMNA P02545 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
SCHEMBL8324428 0.78 RECQL (0.51) ALDH1A1RECQLMAPTNPSR1HPGD
SCHEMBL8666821 0.76 RECQL (0.54) ALDH1A1RECQLMAPTNPSR1HPGD
SCHEMBL8319911 0.75 ALDH1A1 (0.48) ALDH1A1RECQLMAPTNPSR1HPGD
SCHEMBL8669276 0.74 MAPT (0.53) ALDH1A1RECQLMAPTNPSR1HPGD
SCHEMBL8671264 0.74 MAPT (0.58) ALDH1A1RECQLMAPTNPSR1HPGD
SCHEMBL8324278 0.71 CYP19A1 (0.51) ALDH1A1MAPTNPSR1CYP1A2CYP2C9
SCHEMBL8879947 0.70 ALDH1A1 (0.48) ALDH1A1RECQLMAPTNPSR1HPGD
SCHEMBL8666096 0.70 MAPT (0.55) ALDH1A1RECQLMAPTNPSR1HPGD
SCHEMBL10457648 0.70 ALDH1A1 (0.56) ALDH1A1MAPTNPSR1HPGDCYP1A2
SCHEMBL695838 0.69 ALDH1A1 (0.47) ALDH1A1RECQLMAPTNPSR1HPGD

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
EP-0729470-B1 HERBICIDAL PYRROLOPYRIDINE COMPOUNDS ZENECA LTD (GB) 1999-05-12 EP claimed
US-5451566-A PREEMERGENCE AND POSTEMERGENCE HERBICIDES ZENECA LIMITED (GB) 1995-09-19 US claimed
WO-1995014019-A1 HERBICIDAL PYRROLOPYRIDINE COMPOUNDS ZENECA LIMITED (GB) 1995-05-26 WO claimed
EP-0729470-B1 HERBICIDAL PYRROLOPYRIDINE COMPOUNDS ZENECA LTD (GB) 1999-05-12 EP disclosed
US-5451566-A PREEMERGENCE AND POSTEMERGENCE HERBICIDES ZENECA LIMITED (GB) 1995-09-19 US disclosed
WO-1995014019-A1 HERBICIDAL PYRROLOPYRIDINE COMPOUNDS ZENECA LIMITED (GB) 1995-05-26 WO disclosed