SCHEMBL20122190

SCHEMBL20122190

c1ccc(Cc2ccc(-c3ccccc3)nc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 13/20 0.80
CYP11B2 P19099 13/20 0.80
CYP3A4 P08684 1/20 0.64
CALM1 P0DP23 1/20 0.48
HPGDS O60760 1/20 0.47
LDHA P00338 1/20 0.47
LTA4H P09960 1/20 0.46
BAZ2B Q9UIF8 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL2718952 0.89 CYP11B1 (1.00) CYP11B1CYP11B2CYP3A4LTA4H
SCHEMBL20370130 0.89 CYP11B1 (0.65) CYP11B1CYP11B2CYP3A4HPGDSLTA4H
SCHEMBL2716510 0.88 CYP11B1 (1.00) CYP11B1CYP11B2CYP3A4
SCHEMBL2715427 0.85 CYP11B1 (1.00) CYP11B1CYP11B2CYP3A4LDHA
SCHEMBL20805529 0.81 CYP11B1 (0.60) CYP11B1CYP11B2CYP3A4RAB9A
SCHEMBL18291876 0.80 CYP11B1 (0.59) CYP11B1CYP11B2CYP3A4HPGDSLDHA
SCHEMBL1720975 0.80 CYP11B1 (0.59) CYP11B1CYP11B2CYP3A4HPGDSLDHA
SCHEMBL2717142 0.80 CYP11B1 (0.59) CYP11B1CYP11B2CYP3A4HPGDSLDHA
SCHEMBL2412899 0.80 CYP11B1 (0.59) CYP11B1CYP11B2CYP3A4HPGDSLDHA
SCHEMBL146559 0.80 NPC1 (0.65) CYP11B1CYP11B2CYP3A4LDHANPC1

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
US-12024732-B2 Method for preparing nitrogen-containing heterocyclic compound and derivative thereof by enzymatic-chemical cascade method NANJING TECH UNIVERSITY (CN) 2024-07-02 US disclosed
US-12024732-B2 Method for preparing nitrogen-containing heterocyclic compound and derivative thereof by enzymatic-chemical cascade method NANJING TECH UNIVERSITY (CN) 2024-07-02 US disclosed
US-20240026400-A1 METHOD FOR PREPARING NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND DERIVATIVE THEREOF BY ENZYMATIC-CHEMICAL CASCADE METHOD NANJING TECH UNIVERSITY (CN) 2024-01-25 US disclosed
US-20240026400-A1 METHOD FOR PREPARING NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND DERIVATIVE THEREOF BY ENZYMATIC-CHEMICAL CASCADE METHOD NANJING TECH UNIVERSITY (CN) 2024-01-25 US disclosed
US-20230180601-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2023-06-08 US disclosed
US-9966538-B2 Compound, light-emitting element and electronic device comprising same LMS CO., LTD. (KR) 2018-05-08 US disclosed
CN-103214471-B The preparation method of compound with Na-dependent glucose transporter inhibitory activity 田边三菱制药株式会社 2018-02-06 CN disclosed
CN-104109155-A Novel compounds TANABE SEIYAKU CO 2014-10-22 CN disclosed
CN-103819465-A Novel compound MITSUBISHI TANABE PHARMA CORP 2014-05-28 CN disclosed