SCHEMBL8323616

SCHEMBL8323616

N#Cc1nccc2c1ccn2-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 6/20 0.40
GABRB2 P47870 6/20 0.40
GABRB3 P28472 5/20 0.40
GABRP O00591 4/20 0.40
GABRD O14764 4/20 0.40
GABRA1 P14867 4/20 0.40
GABRB1 P18505 4/20 0.40
GABRG2 P18507 4/20 0.40
GABRA5 P31644 4/20 0.40
GABRA3 P34903 4/20 0.40
GABRA4 P48169 4/20 0.40
GABRE P78334 4/20 0.40
GABRA6 Q16445 4/20 0.40
GABRG1 Q8N1C3 4/20 0.40
GABRG3 Q99928 4/20 0.40
GABRQ Q9UN88 4/20 0.40
LMNA P02545 2/20 0.40
NR1I2 O75469 1/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8324003 0.86 CDC7 (0.36) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL8323244 0.83 RECQL (0.36) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL8322859 0.78 RORC (0.39) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL8320585 0.68 CDC7 (0.39) KDM4EMAPTALDH1A1L3MBTL1CDC7
SCHEMBL8324428 0.68 RECQL (0.51) LMNACYP3A4SMN1; SMN2KDM4EMAPT
SCHEMBL2827266 0.66 BIRC5 (0.50) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL8671264 0.66 MAPT (0.58) LMNASMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL8666855 0.66 TDP1 (0.44) LMNACYP3A4SMN1; SMN2KDM4EMAPT
SCHEMBL8319454 0.64 MAT2A (0.42) CYP3A4KDM4EMAPTALDH1A1GAA
SCHEMBL2545891 0.64 GABRA2 (0.44) GABRA2GABRB2GABRB3GABRPGABRD

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-0729470-B1 HERBICIDAL PYRROLOPYRIDINE COMPOUNDS ZENECA LTD (GB) 1999-05-12 EP 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