SCHEMBL25970577

SCHEMBL25970577

Cc1ccc(C(=O)Nc2ccc3c(c2)[nH]c2cc(NC(=O)c4ccccc4)ccc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.65
RAB9A P51151 4/20 0.65
MAPT P10636 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
TP53 P04637 2/20 0.63
MAOB P27338 2/20 0.58
MAOA P21397 1/20 0.58
KMT2A Q03164 5/20 0.57
GSK3B P49841 1/20 0.54
MEN1 O00255 3/20 0.54
KCNK3 O14649 2/20 0.54
KCNK9 Q9NPC2 2/20 0.54
POLB P06746 2/20 0.54
BRD4 O60885 1/20 0.53
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52
STK17B O94768 1/20 0.52
STK17A Q9UEE5 1/20 0.52

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
SCHEMBL25617187 0.86 MAPT (0.60) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL22580641 0.80 TP53 (0.61) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL82305 0.80 RAB9A (1.00) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL148105 0.79 RAB9A (0.62) NPC1RAB9AMAPTSMN1; SMN2TP53
Iodide SCHEMBL30758618 0.78 RAB9A (0.96) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL15532319 0.78 BRD4 (0.77) NPC1RAB9AMAPTSMN1; SMN2MAOB
SCHEMBL4435473 0.78 TNKS2 (0.63) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL11936816 0.77 RAB9A (0.86) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL23776278 0.77 POLB (0.60) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL148250 0.77 LMNA (0.61) SMN1; SMN2MAOAKMT2AKCNK3POLB

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
US-20230260787-A1 COMPOSITION FOR FORMING PROTECTIVE FILM AGAINST ALKALINE AQUEOUS HYDROGEN PEROXIDE, SUBSTRATE FOR PRODUCING SEMICONDUCTOR APPARATUS, METHOD FOR FORMING PROTECTIVE FILM, AND METHOD FOR FORMING PATTERN SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-08-17 US disclosed