SCHEMBL29440559

SCHEMBL29440559

Cc1cccc(N=C=O)c1C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.79
TRPA1 O75762 2/20 0.47
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
TSHR P16473 3/20 0.36
ALDH1A1 P00352 4/20 0.36
TDP1 Q9NUW8 4/20 0.36
HPGD P15428 2/20 0.36
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
MAPT P10636 5/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL93192 1.00 CYP3A4 (0.79) CYP3A4TRPA1GABRA1GABRB2ATM
SCHEMBL15092 0.89 CYP3A4 (1.00) CYP3A4TRPA1GABRA1GABRB2TSHR
SCHEMBL27946613 0.86 CYP3A4 (0.95) CYP3A4TRPA1GABRA1GABRB2TSHR
SCHEMBL28583292 0.83 CYP3A4 (0.87) CYP3A4TRPA1GABRA1GABRB2TSHR
SCHEMBL93287 0.82 CYP3A4 (0.64) CYP3A4TRPA1GABRA1GABRB2SMN1; SMN2
SCHEMBL1416730 0.82 CYP3A4 (0.52) CYP3A4TRPA1ATMSMN1; SMN2TSHR
SCHEMBL29541215 0.82 CYP3A4 (0.64) CYP3A4TRPA1GABRA1GABRB2SMN1; SMN2
SCHEMBL8673923 0.81 CYP3A4 (0.53) CYP3A4TRPA1SMN1; SMN2TSHRALDH1A1
SCHEMBL14405562 0.81 CYP3A4 (0.83) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL20145 0.81 CYP3A4 (0.63) CYP3A4TRPA1GABRA1GABRB2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119285502-A Free radical self-release antifouling agent containing oxime urethane group and preparation method and application thereof 哈尔滨工程大学 2025-01-10 CN claimed
CN-122079815-A Mitochondrial complex III inhibitor compound containing azo structure, preparation method thereof and agricultural sterilization application 2026-05-26 CN disclosed
CN-114096617-B Aqueous thickening composition 可泰克斯公司 2025-06-13 CN disclosed
CN-115368280-B Preparation method and application of novel thermosensitive color developing agent 康爱特维迅(蓬莱)化学有限公司 2025-04-04 CN disclosed
CN-119285502-A Free radical self-release antifouling agent containing oxime urethane group and preparation method and application thereof 哈尔滨工程大学 2025-01-10 CN disclosed
CN-115584103-B Flexible packaging material for amorphous transformer and preparation method thereof 普利泰电子材料江苏有限公司 2024-06-11 CN disclosed
EP-3999568-A1 AQUEOUS THICKENING COMPOSITION Coatex (FR) 2022-05-25 EP disclosed
CN-114380874-A Macrolide antibiotics and preparation method and application thereof 中国医学科学院医药生物技术研究所 2022-04-22 CN disclosed
CN-114096617-A Aqueous thickening composition 可泰克斯公司 2022-02-25 CN disclosed
CN-109844041-B Rheology modifying urethane compounds 可泰克斯公司 2022-02-25 CN disclosed