SCHEMBL30309355

SCHEMBL30309355

CC(=O)Nc1cnc(Br)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.40
HDAC1 Q13547 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
DYRK1A Q13627 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
RORC P51449 1/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL25898011 1.00 IDO1 (0.42) IDO1MEN1KMT2APOLBLMNA
SCHEMBL26931383 0.83 MAPT (0.36) MEN1KMT2ASMN1; SMN2GAAFPR3
SCHEMBL26931434 0.82 FPR3 (0.35) IDO1SMN1; SMN2FPR3FPR2NPC1
SCHEMBL21598663 0.81 ALDH1A1 (0.42) IDO1MEN1KMT2APOLBLMNA
SCHEMBL30254359 0.81 ALDH1A1 (0.42) IDO1MEN1KMT2APOLBLMNA
SCHEMBL21608246 0.79 RORC (0.44) IDO1MEN1KMT2APOLBLMNA
SCHEMBL30004261 0.79 SYK (0.44) RORC
SCHEMBL25898751 0.79 SYK (0.44) RORC
SCHEMBL22288600 0.77 SMN1; SMN2 (0.50) MEN1KMT2ALMNASMN1; SMN2RORC
SCHEMBL26945253 0.76 MAPT (0.36) MEN1KMT2ALMNASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4161641-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2023-04-12 EP disclosed
CN-115942972-A LPA receptor antagonists and uses thereof 吉利德科学公司 2023-04-07 CN disclosed