SCHEMBL29823937

SCHEMBL29823937

O=Cc1c(F)cc(F)cc1-c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.40
KDM4E B2RXH2 4/20 0.39
METAP1 P53582 2/20 0.39
LMNA P02545 2/20 0.39
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
ACLY P53396 1/20 0.38
ERN1 O75460 1/20 0.38
FFAR1 O14842 2/20 0.38
KAT6A Q92794 2/20 0.37
METAP2 P50579 2/20 0.37
KAT7 O95251 1/20 0.37
DRD2 P14416 1/20 0.37

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
SCHEMBL27854216 0.82 LMNA (0.43) GRM5KDM4EMETAP1LMNACCR1
SCHEMBL20456716 0.79 ERN1 (0.47) KDM4EMETAP1LMNACCR1CCR5
SCHEMBL5845637 0.78 KDM4E (0.46) GRM5KDM4EMETAP1LMNACCR1
SCHEMBL27900606 0.76 METAP1 (0.49) GRM5KDM4EMETAP1LMNACCR1
SCHEMBL13182131 0.76 FFAR1 (0.46) GRM5KDM4EMETAP1LMNACCR1
SCHEMBL27930092 0.74 KDM4E (0.54) GRM5KDM4EMETAP1LMNACCR1
SCHEMBL4529792 0.73 KDM1A (0.43) GRM5KDM4EMETAP1LMNACCR1
SCHEMBL27870877 0.73 METAP1 (0.46) GRM5KDM4EMETAP1LMNACCR1
SCHEMBL514547 0.73 MEN1 (0.52) GRM5KDM4EMETAP1LMNACCR1
SCHEMBL5845698 0.73 GRM5 (0.51) GRM5KDM4EMETAP1LMNACCR1

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-114957338-A Organic electroluminescent material and device 环球展览公司 2022-08-30 CN disclosed