SCHEMBL30701749

SCHEMBL30701749

FC(F)(F)Cn1nnc2cnccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
TDO2 P48775 2/20 0.43
MET P08581 1/20 0.41
CYP17A1 P05093 3/20 0.37
CYP1A2 P05177 2/20 0.37
SLC9A1 P19634 5/20 0.35
TUBB4A P04350 2/20 0.34
TUBB P07437 2/20 0.34
TUBA3C P0DPH7 2/20 0.34
TUBA1B P68363 2/20 0.34
TUBA4A P68366 2/20 0.34
TUBB4B P68371 2/20 0.34
TUBB3 Q13509 2/20 0.34
TUBB2A Q13885 2/20 0.34
TUBB8 Q3ZCM7 2/20 0.34
TUBA3E Q6PEY2 2/20 0.34
TUBA1A Q71U36 2/20 0.34
TUBA1C Q9BQE3 2/20 0.34
TUBB6 Q9BUF5 2/20 0.34

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
SCHEMBL9911119 0.77 ALDH1A1 (0.61) ALDH1A1KDM4EMETSLC9A1TUBB4A
SCHEMBL4762274 0.76 ALDH1A1 (0.68) ALDH1A1KDM4EMETSLC9A1GRM2
SCHEMBL20817973 0.74 ALDH1A1 (0.60) ALDH1A1KDM4EMETSLC9A1GRM2
SCHEMBL20832090 0.71 ALDH1A1 (0.50) ALDH1A1KDM4EMETSLC9A1GRM2
SCHEMBL20529673 0.71 TDO2 (0.41) ALDH1A1KDM4ETDO2SLC9A1GRM2
SCHEMBL2595317 0.71 SLC9A1 (0.65) ALDH1A1KDM4EMETCYP17A1SLC9A1
SCHEMBL30701769 0.71 TDO2 (0.41) ALDH1A1KDM4ETDO2SLC9A1GRM2
SCHEMBL24352983 0.69 TDO2 (0.48) TDO2SLC9A1MAPT
Hydrochloric Acid SCHEMBL29620733 0.69 ALDH1A1 (0.71) ALDH1A1KDM4EMETSLC9A1GRM2
SCHEMBL20529669 0.69 TDO2 (0.51) TDO2SLC9A1GRM2RAB9A

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-4547657-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. (US) 2025-05-07 EP disclosed
WO-2024006929-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. (US) 2024-01-04 WO disclosed