SCHEMBL22876181

SCHEMBL22876181

Clc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(Cl)cc4)ccc2n3-c2ccccc2-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
DNM1 Q05193 1/20 0.40
MAP4K4 O95819 1/20 0.40
AKR1B1 P15121 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
PTGES2 Q9H7Z7 5/20 0.38
PTGES O14684 2/20 0.38
NR1H2 P55055 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK14 Q16539 1/20 0.37
ALDH1A2 O94788 1/20 0.37
ALDH1A3 P47895 1/20 0.37
BRD4 O60885 1/20 0.36
MGLL Q99685 1/20 0.36
CNR1 P21554 1/20 0.35
TBXAS1 P24557 1/20 0.35

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
SCHEMBL22876321 1.00 CYP1A2 (0.46) CYP1A2DNM1MAP4K4AKR1B1PTGDR2
SCHEMBL17714934 0.96 DNM1 (0.46) CYP1A2DNM1MAP4K4AKR1B1PTGDR2
SCHEMBL30256945 0.96 DNM1 (0.46) CYP1A2DNM1MAP4K4AKR1B1PTGDR2
SCHEMBL25583853 0.95 CYP1A2 (0.40) CYP1A2DNM1MAP4K4AKR1B1PTGDR2
SCHEMBL21708990 0.92 MGLL (0.41) NR1H2KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL26529787 0.90 NR1H2 (0.40) DNM1MAP4K4AKR1B1PTGDR2NR1H2
SCHEMBL26529255 0.89 MGLL (0.39) NR1H2KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL26529291 0.89 MGLL (0.39) NR1H2KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL25583795 0.89 CYP1A2 (0.37) CYP1A2DNM1MAP4K4NR1H2KDM4E
SCHEMBL22876426 0.88 ATM (0.44) DNM1KDM4EALDH1A1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685859-B2 Organic light emitting device LG CHEM, LTD. (KR) 2023-06-27 US disclosed
US-11685859-B2 Organic light emitting device LG CHEM, LTD. (KR) 2023-06-27 US disclosed
US-20210009894-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2021-01-14 US disclosed