SCHEMBL8669276

SCHEMBL8669276

COc1cccc2c1ccn2-c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
ALDH1A1 P00352 6/20 0.53
HPGD P15428 5/20 0.53
TDP1 Q9NUW8 1/20 0.53
NPSR1 Q6W5P4 6/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RECQL P46063 1/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP2C9 P11712 1/20 0.48
POLB P06746 2/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
CYP3A4 P08684 1/20 0.46
HSP90AA1 P07900 1/20 0.45

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
SCHEMBL8666821 0.82 RECQL (0.54) MAPTALDH1A1HPGDTDP1NPSR1
SCHEMBL8671731 0.82 MAPT (0.53) MAPTALDH1A1HPGDTDP1NPSR1
SCHEMBL8671264 0.80 MAPT (0.58) MAPTALDH1A1HPGDTDP1NPSR1
SCHEMBL8879948 0.78 FFAR4 (0.42) MAPTALDH1A1HPGDTDP1NPSR1
SCHEMBL8666096 0.78 MAPT (0.55) MAPTALDH1A1HPGDTDP1NPSR1
SCHEMBL8324428 0.77 RECQL (0.51) MAPTALDH1A1HPGDTDP1NPSR1
SCHEMBL8878531 0.76 KMT2A (0.47) MAPTALDH1A1HPGDTDP1NPSR1
SCHEMBL19089678 0.75 RPS6KA5 (0.59) MAPTALDH1A1HPGDHTTKDM4E
SCHEMBL8319911 0.74 ALDH1A1 (0.48) MAPTALDH1A1HPGDTDP1NPSR1
SCHEMBL8327014 0.74 ALDH1A1 (0.46) MAPTALDH1A1HPGDTDP1NPSR1

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
US-5739353-A N-arylindoles and their use as herbicides ZENECA LIMITED (GB) 1998-04-14 US disclosed
US-5599774-A PRE- AND POSTEMERGENCE HERBICIDES FOR CROPS, PARTICULARLY CORN, RICE AND SOYBEANS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1997-02-04 US disclosed
US-5395817-A N-pyridine substituted indoles IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-03-07 US disclosed
EP-0626946-A1 N-PHENYLINDOLE AND N-PYRIDYLINDOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HERBICIDES ZENECA LIMITED (GB) 1994-12-07 EP disclosed
WO-1993015049-A1 N-PHENYLINDOLE AND N-PYRIDYLINDOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HERBICIDES ZENECA LIMITED (GB) 1993-08-05 WO disclosed