SCHEMBL31063149

SCHEMBL31063149

COc1c(F)cc(C=O)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TUBB1 Q9H4B7 7/20 0.41
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
PRKDC P78527 1/20 0.39
TTR P02766 1/20 0.39
INSR P06213 1/20 0.39
IGF1R P08069 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 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
SCHEMBL5759025 1.00 ALDH1A1 (0.47) ALDH1A1MAPK1MAPTHPGDTUBB1
SCHEMBL2588646 0.86 MAPT (0.55) ALDH1A1MAPK1MAPTHPGDTUBB1
SCHEMBL2306018 0.86 TUBB1 (0.47) ALDH1A1HPGDTUBB1TSHR
SCHEMBL20607231 0.82 ALDH1A1 (0.45) ALDH1A1MAPK1MAPTHPGDTUBB1
SCHEMBL29628684 0.82 ALDH1A1 (0.45) ALDH1A1MAPK1MAPTHPGDTUBB1
SCHEMBL30122857 0.79 ALDH1A1 (0.63) ALDH1A1MAPK1MAPTHPGDTUBB1
SCHEMBL29803132 0.79 TUBB1 (0.50) ALDH1A1MAPK1MAPTHPGDTUBB1
SCHEMBL524712 0.79 ALDH1A1 (0.63) ALDH1A1MAPK1MAPTHPGDTUBB1
SCHEMBL1766183 0.79 TUBB1 (0.50) ALDH1A1MAPK1MAPTHPGDTUBB1
SCHEMBL12552993 0.79 SRC (0.49) ALDH1A1MAPK1MAPTHPGDTUBB1

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-4665339-A1 INHIBITING ALPHA V BETA 8 INTEGRIN Morphic Therapeutic, Inc. (US) 2025-12-24 EP disclosed
EP-4665458-A1 INHIBITING ALPHA V BETA8 INTEGRIN Morphic Therapeutic, Inc. (US) 2025-12-24 EP disclosed
WO-2024173570-A1 INHIBITING αvβ8 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2024-08-22 WO disclosed
WO-2024173572-A1 INHIBITING α vβ8 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2024-08-22 WO disclosed