SCHEMBL7516309

SCHEMBL7516309

O=C(O)CNc1ccc(OC(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PKM P14618 2/20 0.47
LMNA P02545 1/20 0.46
DHODH Q02127 1/20 0.46
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
STAT3 P40763 1/20 0.44
HCAR3 P49019 3/20 0.44
MAPK1 P28482 1/20 0.43
MITF O75030 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42

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
SCHEMBL7516302 1.00 ALDH1A1 (0.62) ALDH1A1MEN1KMT2APKMLMNA
SCHEMBL6752996 0.84 LMNA (0.68) ALDH1A1MEN1KMT2APKMLMNA
SCHEMBL8399917 0.83 SMN1; SMN2 (0.61) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL27597146 0.83 DHODH (0.53) ALDH1A1MEN1KMT2APKMDHODH
SCHEMBL5113527 0.80 KMT2A (0.70) ALDH1A1MEN1KMT2APKMLMNA
SCHEMBL5113536 0.80 KMT2A (0.70) ALDH1A1MEN1KMT2APKMLMNA
SCHEMBL3483129 0.79 KMT2A (0.56) ALDH1A1MEN1KMT2APKMLMNA
SCHEMBL4009130 0.79 FFAR4 (0.46) ALDH1A1KMT2ALMNADHODHMAPT
SCHEMBL622263 0.78 ALDH1A1 (0.64) ALDH1A1MEN1KMT2APKMLMNA
SCHEMBL117243 0.78 HCAR3 (0.50) ALDH1A1MEN1KMT2ADHODHMAPT

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-0966473-B1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME AVENTIS PHARMA SA (FR) 2002-07-24 EP disclosed
EP-0966473-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME Aventis Pharma S.A. (FR) 1999-12-29 EP disclosed
WO-1998038194-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1998-09-03 WO disclosed