SCHEMBL8389477

SCHEMBL8389477

CCOP(=O)(CCC(Cl)c1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1)OCC

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8386835 0.89 ALDH1A1 (0.31) ALDH1A1TSHRMAPTMAPK1POLB
SCHEMBL8389478 0.89 TSHR (0.31) TSHR
SCHEMBL8387674 0.87 POLB (0.35) ALDH1A1TSHRMAPTMAPK1POLB
SCHEMBL8386782 0.87 ALDH1A1 (0.33) ALDH1A1TSHRMAPTMAPK1POLB
SCHEMBL8386185 0.87 ALDH1A1 (0.31) ALDH1A1TSHRMAPTMAPK1POLB
SCHEMBL8387894 0.87 KCNH2 (0.32) ALDH1A1TSHRMAPTMAPK1POLB
SCHEMBL8386712 0.86 ALDH1A1 (0.30) ALDH1A1TSHRMAPTMAPK1
SCHEMBL8386172 0.85
SCHEMBL8387608 0.85 KCNH2 (0.30)
SCHEMBL8390324 0.84 ALDH1A1 (0.33) ALDH1A1TSHR

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-5922644-A POSTEMERGENCE HERBICIDES EFFECTIVE AGAINST A BROAD RANGE OF WEED SPECIES; MAY BE USED AS SELECTIVE HERBICIDES IN SOYA, SUGAR BEET, AND OIL-SEED RAPE CROPS ZENECA LIMITED (GB) 1999-07-13 US disclosed
EP-0625873-B1 PHOSPHONIC ACID DERIVATIVES CONTAINING A TRIAZOLE RING AS HERBICIDES ZENECA LTD (GB) 1997-11-05 EP disclosed
US-5393732-A Triazole phosphoric acid derivatives and their use as herbicides ZENECA LIMITED (GB) 1995-02-28 US disclosed
EP-0625873-A1 PHOSPHONIC ACID DERIVATIVES CONTAINING A TRIAZOLE RING AS HERBICIDES ZENECA LIMITED (GB) 1994-11-30 EP disclosed