SCHEMBL28237677

SCHEMBL28237677

CCCC1=Cc2ccccc2C1c1ccc(-c2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.34
MAOB P27338 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
IDO1 P14902 2/20 0.32
AGXT P21549 2/20 0.32
CYBB P04839 1/20 0.31
NOX4 Q9NPH5 1/20 0.31
NOX1 Q9Y5S8 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL7932084 0.81 CYP3A4 (0.35) KDM1AMAOBL3MBTL1GAA
SCHEMBL28055090 0.76 KDM1A (0.39) KDM1AMAOBALDH1A1HSD17B10CYP11B1
SCHEMBL2970691 0.74 MEN1 (0.33) KDM1AHPGDKDM4EALDH1A1GAA
SCHEMBL2973886 0.74 KDM1A (0.34) KDM1AHPGDKDM4EALDH1A1GAA
Bromide SCHEMBL27933111 0.72 HTR2A (0.32) KDM4EHSD17B10CYP11B1CYP11B2
Fluoride Ion SCHEMBL27948655 0.72 CYP11B1 (0.30) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8615524 0.72 CYP11B1 (0.33) CYP11B1CYP11B2
Iodide SCHEMBL27948772 0.72 CYP11B1 (0.30) CYP11B1CYP11B2
SCHEMBL815326 0.72 CYP11B1 (0.31) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL812472 0.70 CYP11B1 (0.31) SMN1; SMN2KDM4ECYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105377905-B Metallocenes and catalyst compositions derived therefrom 埃克森美孚化学专利公司 2018-09-14 CN disclosed