SCHEMBL7949518

SCHEMBL7949518

O=C(c1cccc(Br)c1)n1cccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.59
PLAU P00749 2/20 0.59
F2 P00734 1/20 0.59
KLKB1 P03952 1/20 0.59
ALDH1A1 P00352 4/20 0.54
TP53 P04637 1/20 0.54
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PARP1 P09874 1/20 0.47
PDE4B Q07343 2/20 0.46
BCHE P06276 1/20 0.46
SLC6A3 Q01959 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL3 Q96JM7 2/20 0.43
L3MBTL4 Q8NA19 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL8376914 0.81 ELANE (0.59) ELANEPLAUF2KLKB1ALDH1A1
SCHEMBL6016104 0.81 ELANE (0.59) ELANEPLAUF2KLKB1ALDH1A1
SCHEMBL8378302 0.81 ELANE (0.68) ELANEPLAUF2KLKB1ALDH1A1
SCHEMBL135362 0.79 ELANE (0.60) ELANEPLAUF2KLKB1ALDH1A1
SCHEMBL27931328 0.78 ELANE (0.56) ELANEPLAUF2KLKB1ALDH1A1
SCHEMBL6272236 0.73 ELANE (0.54) ELANEPLAUF2KLKB1ALDH1A1
SCHEMBL27947555 0.72 KMO (0.60) ELANEPLAUF2KLKB1ALDH1A1
SCHEMBL11848471 0.71 ELANE (0.59) ELANEPLAUF2KLKB1ALDH1A1
SCHEMBL6670439 0.68 PARP1 (0.68) ALDH1A1TP53HPGDTSHRNPSR1
SCHEMBL241785 0.68 PARP1 (0.68) ALDH1A1TP53HPGDTSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265606-B1 TO CONTROL A BROAD SPECTRUM OF UNDESIRABLE VEGETATION, ARE SELECTIVE TO MAJOR CROPS, HAVE DESIRABLE ENVIRONMENTAL PROFILES, DOW AGROSCIENCES LLC 2001-07-24 US disclosed
US-6010981-A 1-alkyl-4-benzoyl-5-hydroxypyrazole compounds and their use as herbicides DOW AGROSCIENCES LLC (US) 2000-01-04 US disclosed
EP-0914317-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 1999-05-12 EP disclosed
WO-1998052926-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 1998-11-26 WO disclosed