SCHEMBL8773406

SCHEMBL8773406

COc1cc(N=O)ccc1NC(=O)C(C)Cl

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 9/20 0.44
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL14045219 0.79 ALDH1A1 (0.52) LPAR1ALDH1A1MAPTKDM4ENPC1
SCHEMBL8773412 0.77 HTT (0.68) ALDH1A1MAPTNPC1HPGDRAB9A
SCHEMBL13300592 0.76 MAPT (0.60) ALDH1A1MAPTKDM4EPOLBHPGD
SCHEMBL3284559 0.70 MEN1 (0.48) LPAR1ALDH1A1MAPTNPC1RAB9A
SCHEMBL3284557 0.70 MEN1 (0.48) LPAR1ALDH1A1MAPTNPC1RAB9A
SCHEMBL13181209 0.70 TNF (0.42) ALDH1A1KDM4ELMNAPOLBHPGD
SCHEMBL16592433 0.70 KMT2A (0.45) LPAR1ALDH1A1MAPTKDM4ENPC1
SCHEMBL16592489 0.70 KMT2A (0.45) LPAR1ALDH1A1MAPTKDM4ENPC1
SCHEMBL16592551 0.70 KMT2A (0.45) LPAR1ALDH1A1MAPTKDM4ENPC1
SCHEMBL16592431 0.70 KMT2A (0.45) LPAR1ALDH1A1MAPTKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0644184-B1 Azoxycyanobenzene derivatives and their use as fungicides SHELL INT RESEARCH (NL) 1997-11-05 EP disclosed
US-5439897-A For applying to plants, seeds or soils AMERICAN CYANAMID COMPANY (US) 1995-08-08 US disclosed
EP-0644184-A1 Azoxycyanobenzene derivatives and their use as fungicides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1995-03-22 EP disclosed