SCHEMBL29680321

SCHEMBL29680321

O=C(O)CCCc1cccc(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HDAC3 O15379 1/20 0.48
MAPK1 P28482 1/20 0.48
ADRA1A P35348 1/20 0.48
HDAC4 P56524 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC1 Q13547 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
ALDH1A1 P00352 1/20 0.45
MPO P05164 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
SCHEMBL4639208 1.00 FFAR4 (0.50) FFAR4MEN1KMT2AHDAC3MAPK1
SCHEMBL30428005 0.95 FFAR4 (0.49) FFAR4MEN1KMT2AHDAC3MAPK1
SCHEMBL1337385 0.89 FFAR4 (0.47) FFAR4MEN1KMT2AALDH1A1FFAR1
SCHEMBL29462363 0.85 HDAC3 (0.57) FFAR4MEN1KMT2AHDAC3MAPK1
SCHEMBL29009960 0.85 HDAC3 (0.47) FFAR4MEN1KMT2AHDAC3MAPK1
SCHEMBL1265758 0.85 HDAC3 (0.57) FFAR4MEN1KMT2AHDAC3MAPK1
SCHEMBL23077768 0.83 MEN1 (0.46) FFAR4MEN1KMT2AHDAC3MAPK1
SCHEMBL31650638 0.83 MEN1 (0.46) FFAR4MEN1KMT2AHDAC3MAPK1
SCHEMBL22253648 0.83 FFAR4 (0.52) FFAR4MEN1KMT2AHDAC3MAPK1
SCHEMBL14128655 0.83 PTGER1 (0.47) FFAR4MEN1KMT2AHDAC3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025040767-A1 2-(3,8-DIAZABICYCLO[3.2.1]OCTAN-3-YL)-1,3,5-TRIAZINE DERIVATIVES AS KRAS G12D INHIBITORS FOR THE TREATMENT OF CANCER SANOFI (FR) 2025-02-27 WO disclosed
EP-4262807-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2023-10-25 EP disclosed
WO-2022132200-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2022-06-23 WO disclosed