SCHEMBL24786362

SCHEMBL24786362

CC1=CC=CC(C)C1c1cccc(N)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP7 P55210 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 2/20 0.34
RECQL P46063 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
PTPN1 P18031 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
ADRA2C P18825 1/20 0.30

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
SCHEMBL25815347 0.80 ACHE (0.33)
SCHEMBL22919899 0.75 ALDH1A1 (0.35) ALDH1A1CYP3A4TSHR
SCHEMBL22185335 0.73 CYP3A4 (0.39) CASP1ALDH1A1MAPTKDM4EMEN1
SCHEMBL22783092 0.70 CYP3A4 (0.36) CASP1ALOX15CASP7CYP3A4TSHR
SCHEMBL23587161 0.67 MAOB (0.33) KDM4EMEN1KMT2ACYP3A4
SCHEMBL23431321 0.66 MAOA (0.41) CASP1ALDH1A1MAPTKDM4EMEN1
SCHEMBL27332556 0.65 CASP1 (0.34) CASP1ALDH1A1MAPTKDM4EMEN1
SCHEMBL24298898 0.64 HSP90AA1 (0.38) TSHR
SCHEMBL19622897 0.63 CYP3A4 (0.37) CASP1ALDH1A1MAPTKDM4EMEN1
SCHEMBL24326511 0.62 KDM4E (0.36) ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3620460-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2023-08-16 EP disclosed
EP-3715355-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO LTD (KR) 2022-12-14 EP disclosed