SCHEMBL9699705

SCHEMBL9699705

N=C(N)NC(=N)NOC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
KMT2A Q03164 3/20 0.59
MAPT P10636 3/20 0.59
POLB P06746 2/20 0.59
TSHR P16473 3/20 0.47
F2 P00734 2/20 0.45
LMNA P02545 1/20 0.45
PARP10 Q53GL7 1/20 0.42
PKM P14618 3/20 0.42
BLM P54132 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RECQL P46063 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
F10 P00742 1/20 0.42
F12 P00748 1/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
CYP3A4 P08684 1/20 0.42
PARP1 P09874 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
Hydrochloric Acid SCHEMBL29271905 0.98 ALDH1A1 (0.58) ALDH1A1KMT2AMAPTPOLBTSHR
SCHEMBL27524278 0.91 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTPOLBTSHR
SCHEMBL27991767 0.88 ALDH1A1 (0.44) ALDH1A1KMT2AMAPTPOLBF2
SCHEMBL158309 0.85 KMT2A (0.68) ALDH1A1KMT2AMAPTPOLBTSHR
SCHEMBL27503528 0.84 ALDH1A1 (0.39) ALDH1A1KMT2AMAPTPOLBTSHR
Hydrochloric Acid SCHEMBL27483793 0.83 KMT2A (0.66) ALDH1A1KMT2AMAPTPOLBTSHR
SCHEMBL6269137 0.79 ALDH1A1 (0.70) ALDH1A1KMT2AMAPTPOLBTSHR
SCHEMBL10187815 0.79 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTPOLBTSHR
SCHEMBL4907232 0.78 ALDH1A1 (0.76) ALDH1A1KMT2AMAPTPOLBTSHR
SCHEMBL9701780 0.78 ALDH1A1 (0.58) ALDH1A1KMT2AMAPTPOLBTSHR

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
CN-116637173-B Multi-guanidine antibacterial peptide oral microneedle 南京医科大学附属口腔医院 2024-03-22 CN claimed
CN-118286461-A Polypeptide nanoparticle functionalized hydrogel microsphere and preparation method and application thereof 上海市伤骨科研究所 2024-07-05 CN disclosed
US-5142010-A Antimicrobial, polymerizable diguanide compound; adhesives, antiseptics, hair conditioners, latex H. B. FULLER LICENSING & FINANCING INC. (US) 1992-08-25 US disclosed
EP-0460385-A2 Polymeric biocidal agents H.B. FULLER LICENSING & FINANCING, INC. (US) 1991-12-11 EP disclosed
EP-0456093-A2 Biguanide derivatives and biocidal compositions containing them H.B. FULLER LICENSING & FINANCING, INC. (US) 1991-11-13 EP disclosed