SCHEMBL8493441

SCHEMBL8493441

CC(C)(c1ccc(Oc2ccc([N+](=O)[O-])cc2F)cc1)c1cccc(C(C)(C)c2ccc(Oc3ccc([N+](=O)[O-])cc3F)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 7/20 0.56
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
PDE7A Q13946 1/20 0.42
TBXA2R P21731 3/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
S1PR4 O95977 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL8494189 0.86 ALDH1A1 (0.44) HSPB1MEN1KMT2AALDH1A1MAPT
SCHEMBL15055667 0.86 HSPB1 (0.63) HSPB1MEN1KMT2AALDH1A1MAPT
SCHEMBL8497120 0.86 CYP1A2 (0.47) HSPB1MEN1KMT2AALDH1A1MAPT
SCHEMBL9082196 0.84 ALDH1A1 (0.54) HSPB1MEN1KMT2AALDH1A1MAPT
SCHEMBL15054866 0.81 HSPB1 (0.58) HSPB1MEN1KMT2AALDH1A1MAPT
SCHEMBL27859313 0.81 HSPB1 (0.82) HSPB1MEN1KMT2AALDH1A1MAPT
SCHEMBL9081035 0.81 ALDH1A1 (0.50) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL27709817 0.79 ALDH1A1 (0.68) HSPB1MEN1KMT2AALDH1A1MAPT
SCHEMBL4082910 0.79 HSPB1 (0.68) HSPB1MEN1KMT2AALDH1A1MAPT
SCHEMBL31287841 0.79 HSPB1 (0.82) HSPB1MEN1KMT2AALDH1A1MAPT

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-0564299-B1 Use of liquid cristalline polyimides in thermoplastic compositions MITSUI CHEMICALS INC (JP) 1999-11-03 EP disclosed
EP-0564299-A2 Polyimide composition MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-10-06 EP disclosed