SCHEMBL26405652

SCHEMBL26405652

COC(=O)c1ccc(NC(=O)c2ccccc2C(F)(F)F)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.57
ABL1 P00519 1/20 0.53
SRC P12931 1/20 0.53
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
GAA P10253 2/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 1/20 0.47
KCNK3 O14649 3/20 0.46
KCNK9 Q9NPC2 3/20 0.46
HCAR3 P49019 1/20 0.46
DEGS1 O15121 1/20 0.45

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
SCHEMBL31585829 0.86 HCAR3 (0.63) PTGESMEN1KMT2ATRPV1NPC1
SCHEMBL5234574 0.86 HCAR3 (0.63) PTGESMEN1KMT2ATRPV1NPC1
SCHEMBL5738920 0.85 PTGES (0.59) PTGESTRPV1NPC1RAB9AGAA
SCHEMBL26405685 0.83 ABL1 (0.54) PTGESABL1SRCKMT2ANPC1
SCHEMBL31585832 0.83 ABL1 (0.53) PTGESABL1SRCNPC1RAB9A
SCHEMBL8827562 0.82 RAB9A (0.65) ABL1SRCMEN1KMT2ANPC1
SCHEMBL6809933 0.82 MTTP (0.61) PTGESTRPV1DEGS1F10PTGS1
SCHEMBL26406559 0.81 KMT2A (0.59) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL30416204 0.81 DEGS1 (0.60) PTGESTRPV1NPC1RAB9AGAA
SCHEMBL22871247 0.81 MEN1 (0.50) MEN1KMT2ANPC1RAB9AGAA

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-4253367-A1 NOVEL BENZAZEPINE SPIRO DERIVATIVE Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2023-10-04 EP disclosed