SCHEMBL30296822

SCHEMBL30296822

CC(NC(=O)C(N)CCCN=C(N)N)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 7/20 0.63
▸ CYP2C19 P33261 3/20 0.63
▸ CYP1A2 P05177 2/20 0.63
▸ TSHR P16473 2/20 0.63
▸ GLA P06280 1/20 0.63
▸ NFKB1 P19838 1/20 0.63
▸ APEX1 P27695 1/20 0.63
▸ CHRM2 P08172 1/20 0.53
▸ CHRM4 P08173 1/20 0.53
▸ CHRM1 P11229 1/20 0.53
▸ NOS1 P29475 7/20 0.51
▸ NOS3 P29474 5/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ NPY1R P25929 1/20 0.49
▸ NPY2R P49146 1/20 0.49
▸ NPY4R P50391 1/20 0.49
▸ DDAH1 O94760 4/20 0.49
▸ LNPEP Q9UIQ6 3/20 0.48
▸ ERAP2 Q6P179 2/20 0.48

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
SCHEMBL1738251 0.90 CYP2C19 (0.51) NOS2CYP2C19CYP1A2TSHRGLA
SCHEMBL29774670 0.86 EGFR (0.53) NOS2CYP2C19CYP1A2TSHRGLA
SCHEMBL29774696 0.86 EGFR (0.53) NOS2CYP2C19CYP1A2TSHRGLA
SCHEMBL29774695 0.86 EGFR (0.60) NOS2CYP2C19CYP1A2TSHRGLA
SCHEMBL29518434 0.85 LNPEP (0.60) NOS2CYP2C19CYP1A2TSHRGLA
SCHEMBL27898034 0.83 CYP2C19 (0.65) NOS2CYP2C19CYP1A2TSHRGLA
SCHEMBL1735525 0.83 CYP2C19 (0.65) NOS2CYP2C19CYP1A2TSHRGLA
SCHEMBL1735294 0.81 NPY1R (0.55) NOS2CYP2C19CYP1A2TSHRGLA
SCHEMBL10656465 0.81 NOD1 (0.45) NOS2CYP2C19CYP1A2TSHRGLA
SCHEMBL29443896 0.81 CYP2C19 (0.61) NOS2CYP2C19CYP1A2TSHRGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115746111-B Mutant of transcription control factor LysG and application thereof 中国科学院天津工业生物技术研究所 2025-03-25 — — CN disclosed
CN-115746111-A Mutant of transcription regulatory factor LysG and application thereof 中国科学院天津工业生物技术研究所 2023-03-07 — — CN disclosed
Send feedback