SCHEMBL9815402

SCHEMBL9815402

Cc1cc(C)c2c(c1)[nH]c1ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.58
KDM4E B2RXH2 2/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
PARP1 P09874 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 2/20 0.52
ABCB1 P08183 1/20 0.51
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 2/20 0.48
GPR3 P46089 1/20 0.48
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
AHR P35869 2/20 0.47

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
SCHEMBL29726989 1.00 KIF11 (0.58) KIF11KDM4ELMNAHTTPARP1
SCHEMBL15985686 0.82 KIF11 (0.55) KIF11KDM4EMAPTALDH1A1HSD17B10
SCHEMBL25782141 0.81 KDM4E (0.50) KIF11KDM4ELMNAHTTPARP1
SCHEMBL17727817 0.81 PARP1 (0.58) KIF11KDM4ELMNAHTTPARP1
SCHEMBL30687933 0.81 PARP1 (0.54) KIF11KDM4ELMNAHTTPARP1
SCHEMBL27143622 0.81 PARP1 (0.54) KIF11KDM4ELMNAHTTPARP1
SCHEMBL18137997 0.80 CDK4 (0.50) KIF11KDM4ELMNAHTTMEN1
SCHEMBL19303477 0.79 KIF11 (0.51) KIF11KDM4ELMNAHTTPARP1
SCHEMBL25882728 0.79 KIF11 (0.51) KIF11KDM4ELMNAHTTPARP1
SCHEMBL28961387 0.79 GRIN2D (0.48) KIF11KDM4EPARP1MAPTABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117649895-A Method and system for predicting ground color layer effect of dimethyl carbazolyl molecules in sandstone transmission layer 中国石油大学(北京) 2024-03-05 CN claimed
JP-3127774-A None JP disclosed
CN-117649895-A Method and system for predicting ground color layer effect of dimethyl carbazolyl molecules in sandstone transmission layer 中国石油大学(北京) 2024-03-05 CN disclosed
CN-117250292-A Separation and analysis method of heteroatom compounds in petroleum geological sample and application thereof 中国石油天然气股份有限公司 2023-12-19 CN disclosed
CN-115420820-B Displacement simulation method and device for carbazole compound migration tracing parameters in crude oil 长江大学 2023-08-04 CN disclosed
CN-115420820-A Displacement simulation method and device for migration tracing parameters of carbazole compounds in crude oil 长江大学 2022-12-02 CN disclosed
CN-112903872-B Separation method and application of carbazole nitride in petroleum component 中国石油大学(北京) 2022-06-28 CN disclosed
CN-112903872-A Separation method and application of carbazole nitride in petroleum component 中国石油大学(北京) 2021-06-04 CN disclosed
JP-H03127774-A 1,4-DIMETHYLCARBAZOLE DERIVATIVE TAISHO PHARMACEUT CO LTD 1991-05-30 JP disclosed