SCHEMBL28408397

SCHEMBL28408397

Fc1ccc(-c2ccc(-c3ccccc3)cc2)nc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.49
CYP11B2 P19099 6/20 0.49
NPC1 O15118 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
LDHA P00338 1/20 0.48
HPGDS O60760 1/20 0.47
ALDH1A3 P47895 1/20 0.45
TOP1 P11387 1/20 0.44
PTPN1 P18031 2/20 0.44
PTPN2 P17706 1/20 0.44
GRM5 P41594 1/20 0.43
PTPN6 P29350 1/20 0.42
PTPN11 Q06124 1/20 0.42
BAZ2B Q9UIF8 1/20 0.42

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
SCHEMBL2026955 0.96 LDHA (0.52) CYP11B1CYP11B2NPC1RXFP1LDHA
SCHEMBL25779883 0.90 NPC1 (0.51) CYP11B1CYP11B2NPC1RXFP1LDHA
Pyridine SCHEMBL28163159 0.86 CYP11B1 (0.51) CYP11B1CYP11B2NPC1RXFP1LDHA
SCHEMBL12523550 0.82 HPGDS (0.58) CYP11B1CYP11B2NPC1LDHAHPGDS
SCHEMBL913315 0.82 HPGDS (0.58) CYP11B1CYP11B2NPC1LDHAHPGDS
SCHEMBL25118611 0.82 HPGDS (0.58) CYP11B1CYP11B2NPC1LDHAHPGDS
SCHEMBL903715 0.82 HPGDS (0.58) CYP11B1CYP11B2NPC1LDHAHPGDS
SCHEMBL29578423 0.82 HPGDS (0.58) CYP11B1CYP11B2NPC1LDHAHPGDS
SCHEMBL30471908 0.80 HPGDS (0.56) CYP11B1CYP11B2NPC1LDHAHPGDS
Iodide SCHEMBL30978328 0.80 HPGDS (0.56) CYP11B1CYP11B2NPC1LDHAHPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111187301-B Preparation method and application of aggregation-induced emission iridium complex 大连理工大学 2021-10-15 CN claimed
CN-111187301-A Preparation method and application of aggregation-induced emission iridium complex 大连理工大学 2020-05-22 CN claimed
CN-111187301-B Preparation method and application of aggregation-induced emission iridium complex 大连理工大学 2021-10-15 CN disclosed
CN-111187301-A Preparation method and application of aggregation-induced emission iridium complex 大连理工大学 2020-05-22 CN disclosed