SCHEMBL26337257

SCHEMBL26337257

C=Cc1cccc(CC(=O)NC)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.40
BRD4 O60885 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 2/20 0.32
HDAC4 P56524 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
POLB P06746 2/20 0.32
KMT2A Q03164 1/20 0.32
P2RX7 Q99572 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
KDM4E B2RXH2 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
SHMT1 P34896 1/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL26347384 0.86 BTK (0.36) BTKNPSR1MAPTHDAC4POLB
SCHEMBL26337267 0.84 BTK (0.35) BTKNPSR1MAPTPOLBKMT2A
SCHEMBL24742543 0.83 NPSR1 (0.50) BRD4NPSR1MAPTHDAC4MTNR1A
SCHEMBL22250454 0.77 P2RX7 (0.46) BRD4NPSR1POLBKMT2AP2RX7
SCHEMBL30320131 0.76 KMT2A (0.43) NPSR1MAPTPOLBKMT2AKDM4E
SCHEMBL25607563 0.76 KMT2A (0.43) NPSR1MAPTPOLBKMT2AKDM4E
SCHEMBL22598222 0.74 ALDH1A1 (0.42) BTKNPSR1MAPTPOLBKMT2A
SCHEMBL26339436 0.73 BTK (0.32) BTK
SCHEMBL9069711 0.72 CHRNB2 (0.37) BTKMAPTCHRNB2CHRNB4CHRNA3
SCHEMBL2928608 0.72 CCR1 (0.40) BTKMAPTKDM4ESMN1; SMN2ALDH1A1

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
EP-4249480-A1 DIPHENYLPYRAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Northwest A&F University (CN) 2023-09-27 EP disclosed