SCHEMBL2490075

SCHEMBL2490075

[CH](c1ccccc1)n1ccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
CYP11B1 P15538 6/20 0.41
CYP11B2 P19099 5/20 0.41
CYP19A1 P11511 4/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
TBXAS1 P24557 1/20 0.41
QPCT Q16769 1/20 0.41
CYP4Z1 Q86W10 1/20 0.41
QPCTL Q9NXS2 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL8927292 0.80 TBXAS1 (0.48) CYP3A4CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL7158047 0.80 TBXAS1 (0.48) CYP3A4CYP11B1CYP11B2CYP19A1CYP1A2
Hydrochloric Acid SCHEMBL27553888 0.79 TBXAS1 (0.47) CYP3A4CYP11B1CYP11B2CYP19A1CYP1A2
Styrene SCHEMBL15638667 0.77 TSHR (0.50) CYP3A4CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL28529168 0.77 MAPT (0.55) CYP3A4CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL28118460 0.73 CYP11B1 (0.44) CYP3A4CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL2847392 0.72 ALDH1A1 (0.39) CYP19A1CYP1A2CYP2D6MAPTMEN1
SCHEMBL11364719 0.71 MEN1 (0.49) CYP3A4CYP11B1CYP11B2CYP19A1MAPT
SCHEMBL9586509 0.71 CYP19A1 (0.43) CYP3A4CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL6002504 0.71 TBXAS1 (0.44) CYP3A4CYP11B1CYP11B2CYP19A1CYP1A2

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-112191237-B Preparation and application of porous polyionic liquid compound and method for adsorbing carbon dioxide by using porous polyionic liquid compound 华侨大学 2023-05-30 CN claimed
CN-113144816-A Metal complex ion functionalized polyion liquid and preparation method and application thereof 华侨大学 2021-07-23 CN claimed
CN-112191237-A Preparation and application of porous polyion liquid compound and method for adsorbing carbon dioxide by using porous polyion liquid compound 华侨大学 2021-01-08 CN claimed
CN-112191237-B Preparation and application of porous polyionic liquid compound and method for adsorbing carbon dioxide by using porous polyionic liquid compound 华侨大学 2023-05-30 CN disclosed
CN-113144816-A Metal complex ion functionalized polyion liquid and preparation method and application thereof 华侨大学 2021-07-23 CN disclosed
CN-112191237-A Preparation and application of porous polyion liquid compound and method for adsorbing carbon dioxide by using porous polyion liquid compound 华侨大学 2021-01-08 CN disclosed
EP-2367430-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2011-09-28 EP disclosed
WO-2010065152-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-06-10 WO disclosed
US-5753682-A Imidazole lipoxygenase inhibitors PFIZER INC. (US) 1998-05-19 US disclosed
EP-0703913-B1 IMIDAZOLES AS LIPOXYGENASE INHIBITORS PFIZER (US) 1997-06-11 EP disclosed