SCHEMBL11225239

SCHEMBL11225239

C#CCN(C)C(=O)c1ccccc1I

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 2/20 0.38
TSPO P30536 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
PYCR1 P32322 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL2228815 0.82 KMT2A (0.59) KMT2AHPGDTSHRMEN1
SCHEMBL2060980 0.81 KDM4E (0.47) KMT2AHPGDTSHRTSPOMEN1
SCHEMBL12389117 0.80 PYCR1 (0.40) KMT2ATSPOMEN1MAOAMAOB
SCHEMBL4572128 0.78 KMT2A (0.38) KMT2AHPGDTSHRTSPOMEN1
SCHEMBL12442881 0.77 TSPO (0.43) KMT2AHPGDTSHRTSPOMEN1
SCHEMBL15701907 0.77 KMT2A (0.41) KMT2AHPGDTSHRMEN1ALDH1A1
SCHEMBL15453504 0.76 MAOA (0.51) KMT2AHPGDTSHRMEN1ALDH1A1
SCHEMBL6361997 0.75 MEN1 (0.55) KMT2AHPGDTSHRMEN1ALDH1A1
Hydrochloric Acid SCHEMBL30639432 0.75 MAOA (0.53) KMT2AHPGDTSHRMEN1ALDH1A1
SCHEMBL14817910 0.73 PYCR1 (0.49) MAOAMAOBPYCR1

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
US-4354032-A PREEMERGENCE HERBICIDES PPG INDUSTRIES, INC. (US) 1982-10-12 US disclosed
US-4261732-A Alkyl and alkoxyalkyl N-3-alkyl and N-3,5-dialkylbenzoyl-N-isopropylaminoacetate herbicides PPG INDUSTRIES, INC. (US) 1981-04-14 US disclosed
US-4197114-A Alkyl N-3-alkoxy-, and N-3,5-dialkoxybenzoyl-N-isopropylaminoacetate herbicides PPG INDUSTRIES, INC. (US) 1980-04-08 US disclosed