SCHEMBL29424201

SCHEMBL29424201

CC(C)(C)[Si](OCc1ccc([N+](=O)[O-])cc1CO)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.40
ITGB7 P26010 2/20 0.40
LTB4R Q15722 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CYP19A1 P11511 5/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
F2R P25116 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
F2RL3 Q96RI0 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CYP1A2 P05177 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL13331264 1.00 ITGA4 (0.40) ITGA4ITGB7LTB4RMEN1KMT2A
SCHEMBL29423375 0.86 ITGA4 (0.41) ITGA4ITGB7MEN1KMT2ACYP19A1
SCHEMBL13331268 0.86 ITGA4 (0.41) ITGA4ITGB7MEN1KMT2ACYP19A1
SCHEMBL22690732 0.85 ITGA4 (0.39) ITGA4ITGB7MEN1KMT2ACYP19A1
SCHEMBL13331261 0.85 MAPT (0.44) ITGA4ITGB7MEN1KMT2ACYP19A1
SCHEMBL29423510 0.85 MAPT (0.44) ITGA4ITGB7MEN1KMT2ACYP19A1
SCHEMBL22559414 0.84 KMT2A (0.44) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL28693868 0.84 MEN1 (0.37) ITGA4ITGB7MEN1KMT2ACYP19A1
SCHEMBL22690734 0.84 ITGA4 (0.42) ITGA4ITGB7MEN1KMT2ACYP19A1
SCHEMBL13331267 0.82 ERN1 (0.41) ITGA4ITGB7MEN1KMT2ACYP19A1

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
EP-4525928-A1 ANTIBODY DRUG CONJUGATES Novartis AG (CH) 2025-03-26 EP disclosed
WO-2023223097-A1 ANTIBODY DRUG CONJUGATES NOVARTIS AG (CH) 2023-11-23 WO disclosed
EP-3972650-A2 ANTIBODY DRUG CONJUGATES HAVING LINKERS COMPRISING HYDROPHILIC GROUPS Novartis AG (CH) 2022-03-30 EP disclosed