SCHEMBL29044110

SCHEMBL29044110

N=C(N)NC(=N)N(c1ccc(Cl)cc1)C(CCCC(=O)O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MDM2 Q00987 3/20 0.36
FOLH1 Q04609 2/20 0.33
TBXAS1 P24557 2/20 0.32
UTS2R Q9UKP6 2/20 0.32
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
CCKBR P32239 1/20 0.31
P2RY2 P41231 1/20 0.31

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
SCHEMBL29002161 0.71 PSEN1 (0.36) ALDH1A1POLBMEN1KMT2A
4-Chlorophenylbiguanide SCHEMBL31228784 0.67 ALDH1A1 (0.57) ALDH1A1POLB
Nitric Acid SCHEMBL11809174 0.66 HTT (0.33) ALDH1A1MEN1KMT2A
SCHEMBL11236179 0.66 LMNA (0.41) ALDH1A1POLBCYP2D6CYP2C9CYP2C19
SCHEMBL3025013 0.65 SIGMAR1 (0.36) ALDH1A1MEN1CYP2D6CYP2C19KMT2A
SCHEMBL22828144 0.64 HTT (0.33) ALDH1A1POLBMEN1CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL9615764 0.64 LMNA (0.37) ALDH1A1MEN1KMT2A
SCHEMBL11144113 0.64 LMNA (0.40) ALDH1A1FOLH1CYP2D6CYP2C19CCKBR
SCHEMBL20640426 0.64 CYP2C9 (0.35) MEN1CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL22828318 0.64 KMT2A (0.34) ALDH1A1POLBMEN1CYP2D6CYP2C9

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
CN-111172258-B Marine zooplankton diversity evaluation method based on macro bar code technology 国家海洋环境监测中心 2023-06-16 CN claimed
CN-114680128-B Antimicrobial aqueous solution and preparation method and application thereof 广东国得科技发展有限公司 2023-07-18 CN disclosed
CN-111172258-B Marine zooplankton diversity evaluation method based on macro bar code technology 国家海洋环境监测中心 2023-06-16 CN disclosed