SCHEMBL29893255

SCHEMBL29893255

O=C(NNc1ncc(Br)nc1Cl)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CCR4 P51679 5/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
ATR Q13535 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 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
SCHEMBL2401876 1.00 GAA (0.39) GAAALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL19124135 0.85 ALDH1A1 (0.40) GAAALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL14449904 0.82 ALDH1A1 (0.39) GAAALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL30359485 0.76 GAA (0.37) GAAALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL2402204 0.76 GAA (0.37) GAAALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL20203935 0.68 ALDH1A1 (0.36) GAAALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL14431678 0.68 CCR4 (0.35) ALDH1A1CCR4ATR
SCHEMBL25528098 0.68 GAA (0.33) GAAALDH1A1KMT2AKDM4EPOLB
SCHEMBL29893180 0.67 CCR4 (0.34) CCR4
SCHEMBL2401931 0.67 CCR4 (0.34) CCR4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4433485-A1 ADENOSINE RECEPTOR ANTAGONISTS Crossignal Therapeutics, Inc. (US) 2024-09-25 EP disclosed
EP-4313308-A1 TEAD INHIBITORS AND USES THEREOF Cedilla Therapeutics, Inc. (US) 2024-02-07 EP disclosed
WO-2023091604-A1 ADENOSINE RECEPTOR ANTAGONISTS CROSSIGNAL THERAPEUTICS, INC. (US) 2023-05-25 WO disclosed
WO-2022204452-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2022-09-29 WO disclosed