SCHEMBL28344871

SCHEMBL28344871

Clc1cccnc1N=Nc1ncccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 4/20 0.36
HSP90AA1 P07900 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 1/20 0.36
CCR1 P32246 1/20 0.36
CCR8 P51685 1/20 0.36
PLAU P00749 1/20 0.36
BRD4 O60885 1/20 0.36
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
DPP4 P27487 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
PHLPP2 Q6ZVD8 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL2565537 0.88 TRPA1 (0.50) TDP1LMNAHSP90AA1KDM4EMAPT
SCHEMBL21189180 0.81
SCHEMBL28051639 0.76 TDP1 (0.38) TDP1LMNACYP3A4ALDH1A1HTT
SCHEMBL28882238 0.76 NFE2L2 (0.34) TDP1LMNADPP4ALDH1A1HTT
SCHEMBL2931701 0.76 APLNR (0.43) TDP1LMNAHSP90AA1KDM4EMAPT
SCHEMBL699210 0.72 AGTR1 (0.43) LMNAKDM4EPLAUCYP1A2CYP2C9
SCHEMBL27892006 0.70 LMNA (0.48) TDP1LMNAHSP90AA1KDM4EMAPT
SCHEMBL29361780 0.70
SCHEMBL2306238 0.70 DPP4 (0.48) TDP1LMNAHSP90AA1KDM4EMAPT
SCHEMBL41049 0.70

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-110577638-B Ultraviolet self-healing polyamide material and preparation method and self-healing method thereof 西南石油大学 2020-06-23 CN claimed
CN-110577638-A Ultraviolet self-healing polyamide material and preparation method and self-healing method thereof 西南石油大学 2019-12-17 CN claimed
CN-113307945-B Ultraviolet self-healing polyurea material and preparation method thereof 西南石油大学 2021-12-14 CN disclosed
CN-113307945-A Ultraviolet self-healing polyurea material and preparation method thereof 西南石油大学 2021-08-27 CN disclosed
CN-110577638-B Ultraviolet self-healing polyamide material and preparation method and self-healing method thereof 西南石油大学 2020-06-23 CN disclosed
CN-110577638-B Ultraviolet self-healing polyamide material and preparation method and self-healing method thereof 西南石油大学 2020-06-23 CN disclosed
CN-110577638-A Ultraviolet self-healing polyamide material and preparation method and self-healing method thereof 西南石油大学 2019-12-17 CN disclosed
CN-110577638-A Ultraviolet self-healing polyamide material and preparation method and self-healing method thereof 西南石油大学 2019-12-17 CN disclosed