SCHEMBL25566546

SCHEMBL25566546

CC(C)(C)c1ccc(NC(=O)Nc2ccc3c(c2)NC(=O)C3)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.57
NPC1 O15118 2/20 0.50
MAPT P10636 2/20 0.50
MAPK1 P28482 2/20 0.50
HTT P42858 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
XBP1 P17861 1/20 0.50
EPHX2 P34913 2/20 0.49
NR1H4 Q96RI1 1/20 0.49
CNR1 P21554 1/20 0.48
LMNA P02545 1/20 0.48
STAT1 P42224 1/20 0.48
CRBN Q96SW2 1/20 0.48
CSF1R P07333 1/20 0.47
DHPS P49366 1/20 0.46
EPHX1 P07099 1/20 0.44
KIF11 P52732 1/20 0.43

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
SCHEMBL25566469 0.83 CMA1 (0.45) TRPV1MAPTHTTEPHX2CRBN
SCHEMBL25564759 0.80 MAPK14 (0.58) NPC1RAB9AMEN1KMT2ACSF1R
SCHEMBL10576398 0.80 CMA1 (0.49) TRPV1MAPTMEN1KMT2ACRBN
SCHEMBL25567247 0.79 MAPK14 (0.59) TRPV1CSF1R
SCHEMBL25566191 0.79 MAPK14 (0.58) MAPTLMNACSF1R
SCHEMBL3662896 0.79 CRBN (0.52) HTTSMN1; SMN2CRBNTLK2
SCHEMBL6125101 0.79 AHR (0.56) TRPV1MEN1KMT2ACRBNDHPS
SCHEMBL3654523 0.78 BRD4 (0.48) TRPV1MEN1KMT2ACRBNTLK2
SCHEMBL25566649 0.77 CA12 (0.54) TRPV1KIF11
SCHEMBL396156 0.77 DDX3X (0.59) TRPV1CRBN

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
WO-2023078207-A1 6-POSITION-SUBSTITUTED INDOLINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 南京中医药大学 2023-05-11 WO disclosed