SCHEMBL29450010

SCHEMBL29450010

O=Cc1cccc(-n2cncn2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
KDM4E B2RXH2 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
CYP2A6 P11509 2/20 0.49
FGFR1 P11362 1/20 0.47
FBP1 P09467 1/20 0.43
CHRNA7 P36544 1/20 0.43
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.40
GRK6 P43250 1/20 0.39
UNG P13051 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
HCRTR1 O43613 1/20 0.35

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
SCHEMBL2039106 1.00 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2CYP2A6FGFR1
SCHEMBL31402276 0.83 SMN1; SMN2 (0.49) ALDH1A1KDM4ESMN1; SMN2CYP2A6FBP1
SCHEMBL11926858 0.82 CYP2A6 (0.62) ALDH1A1KDM4ESMN1; SMN2CYP2A6FBP1
SCHEMBL4820875 0.81 SMN1; SMN2 (0.46) ALDH1A1KDM4ESMN1; SMN2CYP2A6FBP1
SCHEMBL951176 0.80 ALDH1A1 (1.00) ALDH1A1KDM4ESMN1; SMN2CYP2A6FBP1
SCHEMBL2040562 0.80 KDM4E (0.45) ALDH1A1KDM4ESMN1; SMN2CYP2A6FBP1
SCHEMBL2040560 0.80 KDM4E (0.45) ALDH1A1KDM4ESMN1; SMN2CYP2A6FBP1
SCHEMBL17819606 0.78 KDM4E (0.64) ALDH1A1KDM4ESMN1; SMN2CYP2A6FBP1
SCHEMBL1788007 0.77 CYP2A6 (0.53) ALDH1A1KDM4ESMN1; SMN2CYP2A6FBP1
SCHEMBL29935877 0.75 KDM4E (0.60) ALDH1A1KDM4ESMN1; SMN2CYP2A6FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116731798-A Fluorine-free cleaning agent, and preparation method and application thereof 嘉庚创新实验室 2023-09-12 CN claimed
CN-114317127-B Fluorine-free cleaning agent, and preparation method and application thereof 嘉庚创新实验室 2023-07-04 CN claimed
CN-114317127-A Fluoride-free cleaning agent, and preparation method and application thereof 嘉庚创新实验室 2022-04-12 CN claimed
CN-119546601-A Herbicidal benzoxazines FMC公司 2025-02-28 CN disclosed
CN-116731798-B Fluorine-free cleaning agent, and preparation method and application thereof 嘉庚创新实验室 2024-07-23 CN disclosed
CN-116731798-A Fluorine-free cleaning agent, and preparation method and application thereof 嘉庚创新实验室 2023-09-12 CN disclosed
CN-114317127-B Fluorine-free cleaning agent, and preparation method and application thereof 嘉庚创新实验室 2023-07-04 CN disclosed
CN-114317127-A Fluoride-free cleaning agent, and preparation method and application thereof 嘉庚创新实验室 2022-04-12 CN disclosed