SCHEMBL6864880

SCHEMBL6864880

CC([O])C(=O)Nc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
MAPT P10636 4/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
RXFP1 Q9HBX9 1/20 0.63
POLB P06746 1/20 0.59
GAA P10253 3/20 0.58
ATM Q13315 2/20 0.58
LMNA P02545 1/20 0.58
HSD17B10 Q99714 2/20 0.56
NAPRT Q6XQN6 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
RAB9A P51151 3/20 0.55
HPGD P15428 2/20 0.55
HTT P42858 2/20 0.55
HSP90AA1 P07900 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TAAR1 Q96RJ0 1/20 0.55
GPR55 Q9Y2T6 1/20 0.55
MME P08473 1/20 0.54

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
SCHEMBL628621 0.85 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2ARXFP1
SCHEMBL19425986 0.84 ALDH1A1 (0.85) ALDH1A1MAPTMEN1KMT2ARXFP1
SCHEMBL18852431 0.84 ALDH1A1 (0.66) ALDH1A1MAPTMEN1KMT2ARXFP1
SCHEMBL9886 0.84 ALDH1A1 (0.85) ALDH1A1MAPTMEN1KMT2ARXFP1
SCHEMBL11659850 0.83 ALDH1A1 (0.81) ALDH1A1MAPTMEN1KMT2ARXFP1
SCHEMBL6795034 0.83 ALDH1A1 (0.63) ALDH1A1MAPTMEN1KMT2ARXFP1
Hydrochloric Acid SCHEMBL27725869 0.83 ALDH1A1 (0.81) ALDH1A1MAPTMEN1KMT2ARXFP1
Hydrochloric Acid SCHEMBL9145715 0.83 ALDH1A1 (0.81) ALDH1A1MAPTMEN1KMT2ARXFP1
SCHEMBL2684645 0.83 ALDH1A1 (0.63) ALDH1A1MAPTMEN1KMT2ARXFP1
SCHEMBL17466180 0.82 HTT (0.65) ALDH1A1MAPTMEN1KMT2ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6815398-B1 PRE- AND POSTEMERGENCE HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2004-11-09 US claimed
EP-1242387-A1 SUBSTITUTED PHENYLURACILS AND THEIR USE AS HERBICIDES Bayer Aktiengesellschaft (DE) 2002-09-25 EP claimed
WO-2001034575-A1 SUBSTITUTED PHENYLURACILS AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-05-17 WO claimed
US-6815398-B1 PRE- AND POSTEMERGENCE HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2004-11-09 US disclosed
EP-1242387-A1 SUBSTITUTED PHENYLURACILS AND THEIR USE AS HERBICIDES Bayer Aktiengesellschaft (DE) 2002-09-25 EP disclosed
WO-2001034575-A1 SUBSTITUTED PHENYLURACILS AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-05-17 WO disclosed