SCHEMBL26316048

SCHEMBL26316048

CC(C)(C)c1cccc(Nc2ccc(Cl)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.50
KIF11 P52732 3/20 0.49
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
CNR1 P21554 2/20 0.47
BRD4 O60885 2/20 0.44
APP P05067 2/20 0.43
KCNJ6 P48051 1/20 0.43
KCNJ5 P48544 1/20 0.43
KCNJ3 P48549 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
GRM4 Q14833 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL21252630 0.87 KIF11 (0.56) KIF11MAPTSMN1; SMN2NPSR1ABCG2
SCHEMBL30365006 0.87 KIF11 (0.56) KIF11MAPTSMN1; SMN2NPSR1ABCG2
SCHEMBL29514710 0.87 KIF11 (0.54) P2RX1KIF11MAPTKCNJ6KCNJ5
SCHEMBL21625856 0.87 KIF11 (0.54) P2RX1KIF11MAPTKCNJ6KCNJ5
SCHEMBL22938476 0.86 P2RX1 (0.47) P2RX1KIF11MAPTSMN1; SMN2BRD4
SCHEMBL3398439 0.85 ALDH1A1 (0.60) KIF11MAPTKCNJ6KCNJ5KCNJ3
SCHEMBL12266446 0.82 MAPT (0.53) KIF11MAPTSMN1; SMN2BRD4KDM4E
SCHEMBL11485652 0.82 RAPGEF3 (0.47) KIF11MAPTSMN1; SMN2TP53CNR1
SCHEMBL29945226 0.82 RAPGEF3 (0.47) KIF11MAPTSMN1; SMN2TP53CNR1
SCHEMBL22225354 0.81 KIF11 (0.50) P2RX1KIF11MAPTKCNJ6KCNJ5

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
WO-2024013709-A1 COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2024-01-18 WO disclosed
WO-2023228005-A1 COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2023-11-30 WO disclosed
WO-2023139526-A1 COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2023-07-27 WO disclosed