SCHEMBL7469395

SCHEMBL7469395

O=C(C1=NOCCO1)N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 12/20 0.41
▸ TSHR P16473 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ KMT2A Q03164 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ GNE Q9Y223 1/20 0.34
▸ GRIA3 P42263 1/20 0.34
▸ GRIA4 P48058 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL27895565 0.73 — —
SCHEMBL18827243 0.62 — —
SCHEMBL4478843 0.59 KMT2A (0.42) HPGDTSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL28684147 0.59 HPGD (0.52) HPGDTSHRKMT2AALDH1A1GAA
SCHEMBL22684455 0.59 HPGD (0.42) HPGDTSHRRECQLKMT2AALDH1A1
SCHEMBL4475846 0.58 NPC1 (0.60) HPGDTSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL23387941 0.58 HPGD (0.55) HPGDTSHRKMT2AALDH1A1MEN1
SCHEMBL7302106 0.57 HPGD (0.50) HPGDTSHRKMT2AALDH1A1MEN1
SCHEMBL11200191 0.57 HPGD (0.50) HPGDTSHRRECQLKMT2AALDH1A1
SCHEMBL10721733 0.57 HPGD (0.95) HPGDTSHRKMT2AALDH1A1MEN1

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-0882043-B1 HALOGEN PYRIMIDINES AND ITS USE THEREOF AS PARASITE ABATEMENT MEANS BAYER AG (DE) 2002-09-04 — — EP disclosed
US-6407233-B1 Halogen pyrimidines and its use thereof as parasite abatement means BAYER AKTIENGESELLSCHAFT (DE) 2002-06-18 — — US disclosed
US-6103717-A STRONG FUNGICIDES; BACTERICIDES; MICROBIOCIDES; NONPHYTOTOXIC; CROPS, CEREALS, FRUITS, VEGETABLES BAYER AKTIENGESELLSCHAFT (DE) 2000-08-15 — — US disclosed
EP-0882043-A1 HALOGEN PYRIMIDINES AND ITS USE THEREOF AS PARASITE ABATEMENT MEANS BAYER AG (DE) 1998-12-09 — — EP disclosed
WO-1997027189-A1 HALOGEN PYRIMIDINES AND ITS USE THEREOF AS PARASITE ABATEMENT MEANS BAYER AKTIENGESELLSCHAFT (DE) 1997-07-31 — — WO disclosed
Send feedback