SCHEMBL25640645

SCHEMBL25640645

c1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c(c2)sc2ccc4c5ccc6ccccc6c5oc4c23)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DUSP3 P51452 1/20 0.32
▸ KDM4E B2RXH2 5/20 0.32
▸ HPGD P15428 5/20 0.32
▸ CYP1A1 P04798 4/20 0.32
▸ CYP1A2 P05177 4/20 0.32
▸ CYP1B1 Q16678 4/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ MAPT P10636 4/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ HTT P42858 3/20 0.32
▸ TSHR P16473 2/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ PDE5A O76074 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2B6 P20813 1/20 0.32

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
SCHEMBL25640656 0.95 CYP1A1 (0.34) DUSP3KDM4EHPGDCYP1A1CYP1A2
SCHEMBL25640665 0.94 MMP12 (0.32) DUSP3KDM4EHPGDCYP1A1CYP1A2
SCHEMBL25640399 0.94 DUSP3 (0.32) DUSP3KDM4EHPGDCYP1A1CYP1A2
SCHEMBL25640430 0.92 KDM4E (0.33) DUSP3KDM4EHPGDCYP1A1CYP1A2
SCHEMBL25640501 0.92 L3MBTL1 (0.34) DUSP3KDM4EHPGDCYP1A1CYP1A2
SCHEMBL25645394 0.91 AHR (0.35) KDM4EHPGDALDH1A1MAPTHSD17B10
SCHEMBL25731560 0.89 IKBKB (0.34) KDM4EHPGDCYP1A1CYP1A2CYP1B1
SCHEMBL25640657 0.89 HPGD (0.34) KDM4EHPGDCYP1A1CYP1A2CYP1B1
SCHEMBL25642066 0.88 L3MBTL1 (0.39) DUSP3KDM4EHPGDCYP1A1CYP1A2
SCHEMBL25645407 0.88 ALOX5 (0.35) KDM4EHPGDALDH1A1MAPTHSD17B10

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
WO-2023113334-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DIODE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DIODE, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE 삼성에스디아이 주식회사 2023-06-22 — — WO disclosed
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