SCHEMBL17224287

SCHEMBL17224287

CCC(C)N=c1ccc2c(-c3ccccc3C(=O)N3CCNCC3)c3ccc(N(CC)CC)cc3oc-2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.45
▸ NPY4R P50391 3/20 0.39
▸ FPR2 P25090 4/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ USP2 O75604 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ NCOR2 Q9Y618 1/20 0.37
▸ IGLV6-57 P01721 2/20 0.37
▸ CHRM1 P11229 1/20 0.35
▸ AVPR2 P30518 2/20 0.35
▸ ABCB1 P08183 1/20 0.34
▸ CDC25A P30304 1/20 0.33
▸ CDC25C P30307 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ CFTR P13569 1/20 0.33
▸ PAX8 Q06710 1/20 0.33

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
SCHEMBL26054317 0.89 TGM2 (0.48) TGM2NPY4RFPR2KMT2AUSP2
SCHEMBL14566832 0.86 FPR2 (0.43) TGM2FPR2KMT2AUSP2MEN1
SCHEMBL17399557 0.85 MEN1 (0.41) TGM2FPR2KMT2AUSP2MEN1
SCHEMBL12119403 0.83 TGM2 (0.61) TGM2NPY4RFPR2KMT2AUSP2
Hydrochloric Acid SCHEMBL13737398 0.82 TGM2 (0.60) TGM2NPY4RFPR2KMT2AUSP2
SCHEMBL14192855 0.79 ABCB1 (0.40) TGM2FPR2KMT2AUSP2MEN1
SCHEMBL14559742 0.78 MEN1 (0.44) TGM2FPR2KMT2AUSP2MEN1
SCHEMBL26058245 0.78 TGM2 (0.48) TGM2NPY4RFPR2KMT2AUSP2
SCHEMBL18732965 0.77 TGM2 (0.50) TGM2NPY4RFPR2KMT2AUSP2
SCHEMBL18087519 0.75 TGM2 (0.62) TGM2NPY4RFPR2KMT2AUSP2

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-3137554-A1 AZOARYLS AS REVERSIBLY MODULATABLE TUBULIN INHIBITORS Ecole Normale Superieure De Lyon (FR) 2017-03-08 — — EP disclosed
WO-2015166295-A1 AZOARYLS AS REVERSIBLY MODULATABLE TUBULIN INHIBITORS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2015-11-05 — — WO disclosed
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